General Information of the Compound
| Compound ID |
CP0398657
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| Compound Name |
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(1R)-2-oxo-1-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C31H40N6O3
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| Molecular Weight |
544.7
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| Canonical SMILES |
O=C(N[C@@H](C(=O)N1CCC(CC1)N1CCCCC1)c1ccccc1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C31H40N6O3/c38-29(35-19-13-24(14-20-35)34-17-7-2-8-18-34)28(23-9-3-1-4-10-23)33-30(39)36-21-15-25(16-22-36)37-27-12-6-5-11-26(27)32-31(37)40/h1,3-6,9-12,24-25,28H,2,7-8,13-22H2,(H,32,40)(H,33,39)/t28-/m1/s1
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| InChIKey |
IIJZAIVUEQLMGA-MUUNZHRXSA-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