General Information of the Compound
| Compound ID |
CP0944245
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| Compound Name |
rac-1-(1-(4-Chloro-3-methoxyphenyl)piperidin-4-yl)-2-(5-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)ethanol
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| Structure |
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| Formula |
C18H22ClF3N4O2
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| Molecular Weight |
418.847
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| Canonical SMILES |
COc1cc(N2CCC(C(O)Cn3nc(C(F)(F)F)nc3C)CC2)ccc1Cl
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| InChI |
InChI=1S/C18H22ClF3N4O2/c1-11-23-17(18(20,21)22)24-26(11)10-15(27)12-5-7-25(8-6-12)13-3-4-14(19)16(9-13)28-2/h3-4,9,12,15,27H,5-8,10H2,1-2H3
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| InChIKey |
ZWZBDOJNJCRALN-UHFFFAOYSA-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