General Information of the Compound
| Compound ID |
CP0438128
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| Compound Name |
[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
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| Structure |
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| Formula |
C30H31F3N2O
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| Molecular Weight |
492.585
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| Canonical SMILES |
FC(F)(F)c1ccccc1C(=O)N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C30H31F3N2O/c31-30(32,33)28-14-8-7-13-26(28)29(36)35-20-25(27(21-35)24-11-5-2-6-12-24)19-34-17-15-23(16-18-34)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1
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| InChIKey |
VVGUUHULZSGJMJ-AHKZPQOWSA-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