General Information of the Compound
| Compound ID |
CP0883272
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| Compound Name |
(S)-[5-(2,4-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 |
C24H33ClN4O2
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| Molecular Weight |
445.007
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| Canonical SMILES |
CCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1.Cl
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| InChI |
InChI=1S/C24H32N4O2.ClH/c1-6-11-21(18-12-9-8-10-13-18)28(16-7-2)24-25-23(27(3)26-24)20-15-14-19(29-4)17-22(20)30-5;/h8-10,12-15,17,21H,6-7,11,16H2,1-5H3;1H/t21-;/m0./s1
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| InChIKey |
FOHUSGGCULMQCB-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