General Information of the Compound
| Compound ID |
CP0942088
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| Compound Name |
(S)-[5-(4-Methoxy-2-methyl-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 |
C25H35ClN4O
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| Molecular Weight |
443.035
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| Canonical SMILES |
CCCC[C@@H](c1ccccc1)N(CCC)c1nc(-c2ccc(OC)cc2C)n(C)n1.Cl
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| InChI |
InChI=1S/C25H34N4O.ClH/c1-6-8-14-23(20-12-10-9-11-13-20)29(17-7-2)25-26-24(28(4)27-25)22-16-15-21(30-5)18-19(22)3;/h9-13,15-16,18,23H,6-8,14,17H2,1-5H3;1H/t23-;/m0./s1
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| InChIKey |
VMMXRHWPIRCZNY-BQAIUKQQSA-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