General Information of the Compound
| Compound ID |
CP0376640
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| Compound Name |
N-[(1R,2S,3S)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-2-(1H-imidazol-5-yl)-N-methylacetamide
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| Structure |
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| Formula |
C27H26F7N3O2
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| Molecular Weight |
557.51
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@H]([C@@H]1c1ccc(F)cc1)N(C)C(=O)Cc1cnc[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H26F7N3O2/c1-15(17-9-18(26(29,30)31)11-19(10-17)27(32,33)34)39-23-8-7-22(25(23)16-3-5-20(28)6-4-16)37(2)24(38)12-21-13-35-14-36-21/h3-6,9-11,13-15,22-23,25H,7-8,12H2,1-2H3,(H,35,36)/t15-,22-,23+,25+/m1/s1
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| InChIKey |
XIRJXRDKXDGDJL-SBEIQJPNSA-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