General Information of the Compound
| Compound ID |
CP0556591
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C33H38ClN7O4
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| Molecular Weight |
632.165
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(CC(=O)N(C)C)CC3)c3ccc(Cl)cc23)cc1
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| InChI |
InChI=1S/C33H38ClN7O4/c1-5-6-30(42)27-18-35-41(22(27)2)25-10-8-24(9-11-25)36-33(45)28-19-40(29-12-7-23(34)17-26(28)29)21-32(44)39-15-13-38(14-16-39)20-31(43)37(3)4/h7-12,17-19H,5-6,13-16,20-21H2,1-4H3,(H,36,45)
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| InChIKey |
LTWFESYJBOYMLB-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