General Information of the Compound
| Compound ID |
CP0859551
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| Compound Name |
N2-(3,3-difluorocyclopentyl)-N4-(1H-indol-2-yl)-6-(6-(trifluoromethyl)pyridin-2-yl)-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C22H18F5N7
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| Molecular Weight |
475.425
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| Canonical SMILES |
FC1(F)CCC(Nc2nc(Nc3cc4ccccc4[nH]3)nc(-c3cccc(C(F)(F)F)n3)n2)C1
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| InChI |
InChI=1S/C22H18F5N7/c23-21(24)9-8-13(11-21)28-19-32-18(15-6-3-7-16(29-15)22(25,26)27)33-20(34-19)31-17-10-12-4-1-2-5-14(12)30-17/h1-7,10,13,30H,8-9,11H2,(H2,28,31,32,33,34)
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| InChIKey |
JUXFFUXEYZBADD-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