General Information of the Compound
| Compound ID |
CP0483631
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| Compound Name |
(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
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| Structure |
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| Formula |
C20H18F6N4O
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| Molecular Weight |
444.379
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| Canonical SMILES |
FC(F)(F)c1cc(COC[C@@H](NCc2nnc[nH]2)c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C20H18F6N4O/c21-19(22,23)15-6-13(7-16(8-15)20(24,25)26)10-31-11-17(14-4-2-1-3-5-14)27-9-18-28-12-29-30-18/h1-8,12,17,27H,9-11H2,(H,28,29,30)/t17-/m1/s1
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| InChIKey |
DJOMTTZOLFQUNF-QGZVFWFLSA-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