General Information of the Compound
| Compound ID |
CP0513142
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| Compound Name |
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(2R)-1-oxo-3-(4-phenylphenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C38H46N6O3
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| Molecular Weight |
634.825
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| Canonical SMILES |
O=C(N[C@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C38H46N6O3/c45-36(42-23-17-31(18-24-42)41-21-7-2-8-22-41)34(27-28-13-15-30(16-14-28)29-9-3-1-4-10-29)40-37(46)43-25-19-32(20-26-43)44-35-12-6-5-11-33(35)39-38(44)47/h1,3-6,9-16,31-32,34H,2,7-8,17-27H2,(H,39,47)(H,40,46)/t34-/m1/s1
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| InChIKey |
XQQODFXEFSPXTA-UUWRZZSWSA-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