General Information of the Compound
| Compound ID |
CP0560090
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| Compound Name |
(3S,4R)-N-((2H-1,2,3-triazol-4-yl)methyl)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-(4-fluorophenyl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C24H22F7N5O2
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| Molecular Weight |
545.459
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| Canonical SMILES |
C[C@@H](O[C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)NCc1cnn[nH]1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H22F7N5O2/c1-13(15-6-16(23(26,27)28)8-17(7-15)24(29,30)31)38-21-12-36(22(37)32-9-19-10-33-35-34-19)11-20(21)14-2-4-18(25)5-3-14/h2-8,10,13,20-21H,9,11-12H2,1H3,(H,32,37)(H,33,34,35)/t13-,20+,21-/m1/s1
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| InChIKey |
LQPLOBIHGCTPJW-HBUDHLSFSA-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