General Information of the Compound
| Compound ID |
CP0439623
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| Compound Name |
4-Phenyl-1-[(3S,4S)-4-phenyl-1-(3-phenyl-propyl)-pyrrolidin-3-ylmethyl]-piperidine
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| Structure |
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| Formula |
C31H38N2
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| Molecular Weight |
438.659
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| Canonical SMILES |
C(CN1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C31H38N2/c1-4-11-26(12-5-1)13-10-20-33-24-30(31(25-33)29-16-8-3-9-17-29)23-32-21-18-28(19-22-32)27-14-6-2-7-15-27/h1-9,11-12,14-17,28,30-31H,10,13,18-25H2/t30-,31+/m0/s1
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| InChIKey |
SAGVACGYDFCJIK-IOWSJCHKSA-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