General Information of the Compound
| Compound ID |
CP0407219
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| Compound Name |
(+/-)-trans-3-(3,5-bis(trifluoromethyl)benzyloxy)-N-((4H-1,2,4-triazol-3-yl)methyl)-N-methyl-2-phenylcyclopentanamine
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| Structure |
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| Formula |
C24H24F6N4O
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| Molecular Weight |
498.471
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| Canonical SMILES |
CN(Cc1nnc[nH]1)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1
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| InChI |
InChI=1S/C24H24F6N4O/c1-34(12-21-31-14-32-33-21)19-7-8-20(22(19)16-5-3-2-4-6-16)35-13-15-9-17(23(25,26)27)11-18(10-15)24(28,29)30/h2-6,9-11,14,19-20,22H,7-8,12-13H2,1H3,(H,31,32,33)/t19-,20+,22+/m1/s1
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| InChIKey |
UCWYYDBINVOBHN-URVUXULASA-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