General Information of the Compound
| Compound ID |
CP0889331
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| Compound Name |
(S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-propyl-[1-(4-trifluoromethyl-phenyl)-propyl]-amine hydrochloride
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| Structure |
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| Formula |
C23H27Cl2F3N4O
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| Molecular Weight |
503.396
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| Canonical SMILES |
CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)[C@@H](CC)c1ccc(C(F)(F)F)cc1.Cl
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| InChI |
InChI=1S/C23H26ClF3N4O.ClH/c1-5-13-31(19(6-2)15-7-9-16(10-8-15)23(25,26)27)22-28-21(30(3)29-22)18-12-11-17(24)14-20(18)32-4;/h7-12,14,19H,5-6,13H2,1-4H3;1H/t19-;/m0./s1
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| InChIKey |
KARLXSIODPDOHC-FYZYNONXSA-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