General Information of the Compound
| Compound ID |
CP0464134
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| Compound Name |
5-(2,4-dichloro-5-fluorophenyl)-N-(dicyclopropylmethyl)-1-methyl-N-propyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C19H23Cl2FN4
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| Molecular Weight |
397.325
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| Canonical SMILES |
CCCN(C(C1CC1)C1CC1)c1nc(-c2cc(F)c(Cl)cc2Cl)n(C)n1
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| InChI |
InChI=1S/C19H23Cl2FN4/c1-3-8-26(17(11-4-5-11)12-6-7-12)19-23-18(25(2)24-19)13-9-16(22)15(21)10-14(13)20/h9-12,17H,3-8H2,1-2H3
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| InChIKey |
RVGOPRUCPBQTLJ-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