General Information of the Compound
| Compound ID |
CP0388557
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| Compound Name |
2-benzyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxamide
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| Structure |
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| Formula |
C32H35N5O
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| Molecular Weight |
505.666
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(NC(=O)c2c3CN(Cc4ccccc4)CCc3nc3ccccc23)c(C)c1
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| InChI |
InChI=1S/C32H35N5O/c1-23-20-25(37-18-16-35(2)17-19-37)12-13-28(23)34-32(38)31-26-10-6-7-11-29(26)33-30-14-15-36(22-27(30)31)21-24-8-4-3-5-9-24/h3-13,20H,14-19,21-22H2,1-2H3,(H,34,38)
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| InChIKey |
FJZHGDHTWMAUJR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3