General Information of the Compound
| Compound ID |
CP0446552
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| Compound Name |
(S)-[5-(4-Chloro-2-methoxy-phenyl)-1-methyl-1H-[1,2,4]triazol-3-yl]-(1-phenyl-butyl)-propyl-amine; hydrochloride
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| Structure |
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| Formula |
C23H29ClN4O
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| Molecular Weight |
412.965
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| Canonical SMILES |
CCCC(N(CCC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
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| InChI |
InChI=1S/C23H29ClN4O/c1-5-10-20(17-11-8-7-9-12-17)28(15-6-2)23-25-22(27(3)26-23)19-14-13-18(24)16-21(19)29-4/h7-9,11-14,16,20H,5-6,10,15H2,1-4H3
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| InChIKey |
GUXOKTNDTLBAEY-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