General Information of the Compound
| Compound ID |
CP0509065
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[3-(methylamino)pyrrolidin-1-yl]-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C31H36N6O3
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| Molecular Weight |
540.668
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCC(C3)NC)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C31H36N6O3/c1-5-6-29(38)26-16-33-37(21(26)3)24-10-8-22(9-11-24)34-31(40)27-18-36(28-12-7-20(2)15-25(27)28)19-30(39)35-14-13-23(17-35)32-4/h7-12,15-16,18,23,32H,5-6,13-14,17,19H2,1-4H3,(H,34,40)
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| InChIKey |
ADOSOODASHKBNS-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