General Information of the Compound
| Compound ID |
CP0407220
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| Compound Name |
(5S)-5-[[[(1R,2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]-methylamino]methyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C26H28F6N2O2
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| Molecular Weight |
514.51
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| Canonical SMILES |
CN(C[C@@H]1CCC(=O)N1)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1
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| InChI |
InChI=1S/C26H28F6N2O2/c1-34(14-20-7-10-23(35)33-20)21-8-9-22(24(21)17-5-3-2-4-6-17)36-15-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32/h2-6,11-13,20-22,24H,7-10,14-15H2,1H3,(H,33,35)/t20-,21+,22-,24-/m0/s1
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| InChIKey |
FLLDRPOJCLGUHA-KHUIQGCPSA-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