General Information of the Compound
| Compound ID |
CP0432089
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| Compound Name |
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)-N-(2-methoxyethyl)cyclopentanamine
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| Structure |
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| Formula |
C24H26F7NO2
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| Molecular Weight |
493.463
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| Canonical SMILES |
COCCN[C@@H]1CC[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccc(F)cc1
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| InChI |
InChI=1S/C24H26F7NO2/c1-14(16-11-17(23(26,27)28)13-18(12-16)24(29,30)31)34-21-8-7-20(32-9-10-33-2)22(21)15-3-5-19(25)6-4-15/h3-6,11-14,20-22,32H,7-10H2,1-2H3/t14-,20-,21+,22+/m1/s1
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| InChIKey |
SCTMGBDXYTYTJH-KAJMWERUSA-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