General Information of the Compound
| Compound ID |
CP0497351
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| Compound Name |
4-({[1-(3,3-Diphenyl-propyl)-piperidin-4-yl]-methyl-carbamoyl}-methyl)-benzoic acid methyl ester
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| Structure |
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| Formula |
C31H36N2O3
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| Molecular Weight |
484.64
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| Canonical SMILES |
COC(=O)c1ccc(CC(=O)N(C)C2CCN(CCC(c3ccccc3)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C31H36N2O3/c1-32(30(34)23-24-13-15-27(16-14-24)31(35)36-2)28-17-20-33(21-18-28)22-19-29(25-9-5-3-6-10-25)26-11-7-4-8-12-26/h3-16,28-29H,17-23H2,1-2H3
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| InChIKey |
DNKDGXQNAHLZOH-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