General Information of the Compound
| Compound ID |
CP0437585
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| Compound Name |
(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-4-(2H-[1,2,4]triazol-1-ylmethyl)-morpholine
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| Structure |
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| Formula |
C22H20F6N4O2
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| Molecular Weight |
486.416
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2OCCN(Cn3cncn3)[C@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H20F6N4O2/c23-21(24,25)17-8-15(9-18(10-17)22(26,27)28)11-34-20-19(16-4-2-1-3-5-16)31(6-7-33-20)14-32-13-29-12-30-32/h1-5,8-10,12-13,19-20H,6-7,11,14H2/t19-,20+/m0/s1
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| InChIKey |
KIPCSRVFBMVQSZ-VQTJNVASSA-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