General Information of the Compound
| Compound ID |
CP0521838
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| Compound Name |
(1S,3R)-3-(benzylamino)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C25H28F6N2O
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| Molecular Weight |
486.5
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H28F6N2O/c1-16(2)23(9-8-21(13-23)32-14-17-6-4-3-5-7-17)22(34)33-15-18-10-19(24(26,27)28)12-20(11-18)25(29,30)31/h3-7,10-12,16,21,32H,8-9,13-15H2,1-2H3,(H,33,34)/t21-,23+/m1/s1
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| InChIKey |
XOXUVAJFNVIHLG-GGAORHGYSA-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