General Information of the Compound
| Compound ID |
CP0404117
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| Compound Name |
(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(3-phenylpropylamino)-1-propan-2-ylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C27H32F6N2O
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| Molecular Weight |
514.554
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| Canonical SMILES |
CC(C)[C@@]1(CC[C@H](C1)NCCCc1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H32F6N2O/c1-18(2)25(11-10-23(16-25)34-12-6-9-19-7-4-3-5-8-19)24(36)35-17-20-13-21(26(28,29)30)15-22(14-20)27(31,32)33/h3-5,7-8,13-15,18,23,34H,6,9-12,16-17H2,1-2H3,(H,35,36)/t23-,25+/m1/s1
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| InChIKey |
BAWPCIRDHSZWMX-NOZRDPDXSA-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