General Information of the Compound
| Compound ID |
CP0378020
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| Compound Name |
(S)-[5-(2-Chloro-4,5-dimethoxy-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 |
C24H31ClN4O2
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| Molecular Weight |
442.991
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| Canonical SMILES |
CCCC(N(CCC)c1nc(-c2cc(OC)c(OC)cc2Cl)n(C)n1)c1ccccc1
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| InChI |
InChI=1S/C24H31ClN4O2/c1-6-11-20(17-12-9-8-10-13-17)29(14-7-2)24-26-23(28(3)27-24)18-15-21(30-4)22(31-5)16-19(18)25/h8-10,12-13,15-16,20H,6-7,11,14H2,1-5H3
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| InChIKey |
HKCQVNFUVMJATG-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