General Information of the Compound
| Compound ID |
CP0489985
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| Compound Name |
tert-butyl 4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-4-phenylpiperidine-1-carboxylate
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| Structure |
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| Formula |
C31H42N4O3
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| Molecular Weight |
518.702
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H42N4O3/c1-30(2,3)38-29(37)34-22-17-31(18-23-34,24-10-5-4-6-11-24)16-9-19-33-20-14-25(15-21-33)35-27-13-8-7-12-26(27)32-28(35)36/h4-8,10-13,25H,9,14-23H2,1-3H3,(H,32,36)
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| InChIKey |
RVPAZHRBJKDRHU-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