General Information of the Compound
| Compound ID |
CP0568957
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C33H38N6O3
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| Molecular Weight |
566.706
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CC4CN(C)CC4C3)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C33H38N6O3/c1-5-6-31(40)28-14-34-39(22(28)3)26-10-8-25(9-11-26)35-33(42)29-19-37(30-12-7-21(2)13-27(29)30)20-32(41)38-17-23-15-36(4)16-24(23)18-38/h7-14,19,23-24H,5-6,15-18,20H2,1-4H3,(H,35,42)
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| InChIKey |
IAAHTPOTCBOKRX-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