General Information of the Compound
| Compound ID |
CP0456775
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| Compound Name |
N-(dicyclopropylmethyl)-N-propyl-1-(2,2,2-trifluoroethyl)-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-amine
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| Structure |
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| Formula |
C23H31F3N4
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| Molecular Weight |
420.523
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| Canonical SMILES |
CCCN(C(C1CC1)C1CC1)c1nc(-c2c(C)cc(C)cc2C)n(CC(F)(F)F)n1
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| InChI |
InChI=1S/C23H31F3N4/c1-5-10-29(20(17-6-7-17)18-8-9-18)22-27-21(30(28-22)13-23(24,25)26)19-15(3)11-14(2)12-16(19)4/h11-12,17-18,20H,5-10,13H2,1-4H3
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| InChIKey |
ZKUIDNJCUNPWMT-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