General Information of the Compound
| Compound ID |
CP0382884
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| Compound Name |
5-(2,4-dimethoxyphenyl)-1-methyl-N-(1-phenylbutyl)-N-propyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C24H32N4O2
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| Molecular Weight |
408.546
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| Canonical SMILES |
CCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccccc1
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| InChI |
InChI=1S/C24H32N4O2/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
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| InChIKey |
DZVQJHYBCIMRMK-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