General Information of the Compound
| Compound ID |
CP0544581
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| Compound Name |
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-4-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 |
C34H42N6O3S
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| Molecular Weight |
614.816
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| Canonical SMILES |
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)C1CCNCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C34H42N6O3S/c41-32(38-17-11-24(12-18-38)23-9-15-35-16-10-23)29(21-25-22-44-31-8-4-1-5-27(25)31)37-33(42)39-19-13-26(14-20-39)40-30-7-3-2-6-28(30)36-34(40)43/h1-8,22-24,26,29,35H,9-21H2,(H,36,43)(H,37,42)/t29-/m1/s1
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| InChIKey |
JSRIYQMFTLDAFG-GDLZYMKVSA-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