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Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
3 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
8 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
13 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
13 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
9 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Upstream Precursor
VZYYJCUSXWDKJQ-UHFFFAOYSA-N
Dovitinib N-oxide
C[N+]1(CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N)[O-]
Depth 1
Depiction
Product
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depiction
Upstream Precursor
XQKFZLUACQXBSB-UHFFFAOYSA-N
CN1CC[N+](CC1)(C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N)[O-]
Depth 1
Depiction
Product
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depiction
Upstream Precursor
XPVVLMNVUMLPJM-UHFFFAOYSA-N
C[N+]1(CC[N+](CC1)(C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC…
Depth 2
Depiction
Product
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N

Previewing top 3 entries. If you want the full results, please use the download button above.

Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 3
Depiction
Downstream Successor
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 2
Depiction
Downstream Successor
GLUUGHFHXGJENI-UHFFFAOYSA-N
Piperazine
C1CNCCN1
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 1
Depiction
Downstream Successor
PVOAHINGSUIXLS-UHFFFAOYSA-O
1-Methylpiperazin-4-ium
C[NH+]1CCNCC1
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 3
Depiction
Downstream Successor
FEGRFLSNPCOSRJ-UHFFFAOYSA-N
2-((2-Aminoethyl)amino)acetaldehyde
C(CN)NCC=O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 2
Depiction
Downstream Successor
KZMQZFPRPILIHO-UHFFFAOYSA-N
2-(Methylamino)acetaldehyde
O=CCNC
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 3
Depiction
Downstream Successor
KDKGWGUUUVROTO-UHFFFAOYSA-N
4-Hydroxypiperazine
N1(CCNCC1)O
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 2
Depiction
Downstream Successor
JUQWFONZRDXAAB-UHFFFAOYSA-N
1-Methylpiperazine 1-oxide
N1CC[N+](CC1)(C)[O-]
Depiction
Precursor
PIQCTGMSNWUMAF-UHFFFAOYSA-O
4-amino-5-fluoro-3-[6-(4-methylpiperazin-4-ium-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
CN1CC[NH+](CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
Depth 2
Depiction
Downstream Successor
TURINRWQRPFJDM-UHFFFAOYSA-N
2-[2-(Methylamino)ethylamino]acetaldehyde
CNCCNCC=O

Previewing top 10 entries. If you want the full results, please use the download button above.

No Original Precursors

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