General Information of the Compound
| Compound ID |
CP0565865
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| Compound Name |
(2-Methoxy-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone
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| Structure |
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| Formula |
C30H34N2O2
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| Molecular Weight |
454.614
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| Canonical SMILES |
COc1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C30H34N2O2/c1-34-29-15-9-8-14-27(29)30(33)32-21-26(28(22-32)25-12-6-3-7-13-25)20-31-18-16-24(17-19-31)23-10-4-2-5-11-23/h2-15,24,26,28H,16-22H2,1H3/t26-,28+/m0/s1
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| InChIKey |
ISEJXEBPPGQCCY-XTEPFMGCSA-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