General Information of the Compound
| Compound ID |
CP0559427
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| Compound Name |
5-(4-chloro-2-methylphenyl)-N-(dicyclopropylmethyl)-1-methyl-N-propyl-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C20H27ClN4
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| Molecular Weight |
358.917
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| Canonical SMILES |
CCCN(C(C1CC1)C1CC1)c1nc(-c2ccc(Cl)cc2C)n(C)n1
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| InChI |
InChI=1S/C20H27ClN4/c1-4-11-25(18(14-5-6-14)15-7-8-15)20-22-19(24(3)23-20)17-10-9-16(21)12-13(17)2/h9-10,12,14-15,18H,4-8,11H2,1-3H3
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| InChIKey |
RYPNODGVDDLVMX-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