General Information of the Compound
| Compound ID |
CP0949468
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| Compound Name |
(S)-[5-(4-Methoxy-2-methyl-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 |
C24H30ClF3N4O
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| Molecular Weight |
482.978
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| Canonical SMILES |
CCCN(c1nc(-c2ccc(OC)cc2C)n(C)n1)[C@@H](CC)c1ccc(C(F)(F)F)cc1.Cl
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| InChI |
InChI=1S/C24H29F3N4O.ClH/c1-6-14-31(21(7-2)17-8-10-18(11-9-17)24(25,26)27)23-28-22(30(4)29-23)20-13-12-19(32-5)15-16(20)3;/h8-13,15,21H,6-7,14H2,1-5H3;1H/t21-;/m0./s1
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| InChIKey |
WLOJDBFNLUWUFV-BOXHHOBZSA-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