General Information of the Compound
| Compound ID |
CP0509630
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| Compound Name |
3-[(3S,4S)-1-Benzyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-3-yl]-benzoic acid methyl ester
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| Structure |
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| Formula |
C31H36N2O2
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| Molecular Weight |
468.641
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| Canonical SMILES |
COC(=O)c1cccc(c1)[C@H]1CN(Cc2ccccc2)C[C@@H]1CN1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C31H36N2O2/c1-35-31(34)28-14-8-13-27(19-28)30-23-33(20-24-9-4-2-5-10-24)22-29(30)21-32-17-15-26(16-18-32)25-11-6-3-7-12-25/h2-14,19,26,29-30H,15-18,20-23H2,1H3/t29-,30+/m0/s1
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| InChIKey |
QVUSLFAVRYPDRJ-XZWHSSHBSA-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