General Information of the Compound
| Compound ID |
CP0409108
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| Compound Name |
5-(4-chloro-2-methoxyphenyl)-N-ethyl-1-methyl-N-(1-phenylpropyl)-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C21H25ClN4O
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| Molecular Weight |
384.911
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| Canonical SMILES |
CCC(N(CC)c1nc(-c2ccc(Cl)cc2OC)n(C)n1)c1ccccc1
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| InChI |
InChI=1S/C21H25ClN4O/c1-5-18(15-10-8-7-9-11-15)26(6-2)21-23-20(25(3)24-21)17-13-12-16(22)14-19(17)27-4/h7-14,18H,5-6H2,1-4H3
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| InChIKey |
OLYQYJXFTWCVNZ-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