General Information of the Compound
| Compound ID |
CP0950960
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| Compound Name |
(S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-pentyl)-propyl-amine hydrochloride
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| Structure |
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| Formula |
C24H32Cl2N4O
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| Molecular Weight |
463.453
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| Canonical SMILES |
CCCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1.Cl
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| InChI |
InChI=1S/C24H31ClN4O.ClH/c1-5-7-13-21(18-11-9-8-10-12-18)29(16-6-2)24-26-23(28(3)27-24)20-15-14-19(25)17-22(20)30-4;/h8-12,14-15,17,21H,5-7,13,16H2,1-4H3;1H/t21-;/m0./s1
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| InChIKey |
UNLJTJKWSHNTKC-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