General Information of the Compound
| Compound ID |
CP0454828
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| Compound Name |
(4-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 |
COc1ccc(cc1)C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C30H34N2O2/c1-34-28-14-12-26(13-15-28)30(33)32-21-27(29(22-32)25-10-6-3-7-11-25)20-31-18-16-24(17-19-31)23-8-4-2-5-9-23/h2-15,24,27,29H,16-22H2,1H3/t27-,29+/m0/s1
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| InChIKey |
ZJRYDZGIZTXHJC-LMSSTIIKSA-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