General Information of the Compound
| Compound ID |
CP0394152
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| Compound Name |
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentanamine
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| Structure |
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| Formula |
C21H20F7NO
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| Molecular Weight |
435.383
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| Canonical SMILES |
C[C@@H](O[C@H]1CC[C@@H](N)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C21H20F7NO/c1-11(13-8-14(20(23,24)25)10-15(9-13)21(26,27)28)30-18-7-6-17(29)19(18)12-2-4-16(22)5-3-12/h2-5,8-11,17-19H,6-7,29H2,1H3/t11-,17-,18+,19+/m1/s1
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| InChIKey |
XRGRBIWYLQEBSZ-QJJJLASOSA-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