General Information of the Compound
| Compound ID |
CP0499197
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| Compound Name |
5-(2,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)pentyl]-1-methyl-N-propyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C25H33FN4O2
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| Molecular Weight |
440.563
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| Canonical SMILES |
CCCCC(N(CCC)c1nc(-c2ccc(OC)cc2OC)n(C)n1)c1ccc(F)cc1
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| InChI |
InChI=1S/C25H33FN4O2/c1-6-8-9-22(18-10-12-19(26)13-11-18)30(16-7-2)25-27-24(29(3)28-25)21-15-14-20(31-4)17-23(21)32-5/h10-15,17,22H,6-9,16H2,1-5H3
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| InChIKey |
ZPMVACUFPBEMLZ-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