General Information of the Compound
| Compound ID |
CP0859577
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| Compound Name |
(R)-N2-(1-cyclopropylethyl)-N4-(4,4-dimethylcyclohexyl)-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C22H29F3N6
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| Molecular Weight |
434.51
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| Canonical SMILES |
C[C@@H](Nc1nc(NC2CCC(C)(C)CC2)nc(-c2cccc(C(F)(F)F)n2)n1)C1CC1
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| InChI |
InChI=1S/C22H29F3N6/c1-13(14-7-8-14)26-19-29-18(16-5-4-6-17(28-16)22(23,24)25)30-20(31-19)27-15-9-11-21(2,3)12-10-15/h4-6,13-15H,7-12H2,1-3H3,(H2,26,27,29,30,31)/t13-/m1/s1
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| InChIKey |
WWXJVMKLAXVPDF-CYBMUJFWSA-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