General Information of the Compound
| Compound ID |
CP0500938
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| Compound Name |
tert-butyl 4-(3,4-dichlorophenyl)-4-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C31H40Cl2N4O3
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| Molecular Weight |
587.592
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CCCN2CCC(CC2)n2c3ccccc3[nH]c2=O)(CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C31H40Cl2N4O3/c1-30(2,3)40-29(39)36-19-14-31(15-20-36,22-9-10-24(32)25(33)21-22)13-6-16-35-17-11-23(12-18-35)37-27-8-5-4-7-26(27)34-28(37)38/h4-5,7-10,21,23H,6,11-20H2,1-3H3,(H,34,38)
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| InChIKey |
OWURYQDBCNDEQC-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