General Information of the Compound
| Compound ID |
CP0421297
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| Compound Name |
(1R,2S,3S)-N-((1H-imidazol-2-yl)methyl)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentanamine
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| Structure |
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| Formula |
C25H24F7N3O
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| Molecular Weight |
515.473
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@@H](NCc2ncc[nH]2)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H24F7N3O/c1-14(16-10-17(24(27,28)29)12-18(11-16)25(30,31)32)36-21-7-6-20(35-13-22-33-8-9-34-22)23(21)15-2-4-19(26)5-3-15/h2-5,8-12,14,20-21,23,35H,6-7,13H2,1H3,(H,33,34)/t14-,20-,21+,23+/m1/s1
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| InChIKey |
JXUBKJLKDMQAKS-XGXIMLBESA-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