General Information of the Compound
| Compound ID |
CP0533176
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[methyl-[(1-methylpiperidin-3-yl)methyl]amino]-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C34H42N6O3
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| Molecular Weight |
582.749
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N(C)CC3CCCN(C)C3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C34H42N6O3/c1-6-8-32(41)29-18-35-40(24(29)3)27-13-11-26(12-14-27)36-34(43)30-21-39(31-15-10-23(2)17-28(30)31)22-33(42)38(5)20-25-9-7-16-37(4)19-25/h10-15,17-18,21,25H,6-9,16,19-20,22H2,1-5H3,(H,36,43)
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| InChIKey |
WSZRNNLGVAOXKP-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