General Information of the Compound
| Compound ID |
CP0557853
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| Compound Name |
N-[(2R)-3-(1-methylindol-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C35H45N7O3
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| Molecular Weight |
611.791
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| Canonical SMILES |
Cn1cc(C[C@@H](NC(=O)N2CCC(CC2)n2c3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C35H45N7O3/c1-38-24-25(28-9-3-5-11-31(28)38)23-30(33(43)40-19-13-26(14-20-40)39-17-7-2-8-18-39)37-34(44)41-21-15-27(16-22-41)42-32-12-6-4-10-29(32)36-35(42)45/h3-6,9-12,24,26-27,30H,2,7-8,13-23H2,1H3,(H,36,45)(H,37,44)/t30-/m1/s1
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| InChIKey |
UGVTUQAEJUZTMQ-SSEXGKCCSA-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