General Information of the Compound
| Compound ID |
CP0535130
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| Compound Name |
N4-cyclopropyl-N2-(quinoxalin-6-yl)-5-(trifluoromethyl) pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H13F3N6
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| Molecular Weight |
346.316
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| Canonical SMILES |
FC(F)(F)c1cnc(Nc2ccc3nccnc3c2)nc1NC1CC1
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| InChI |
InChI=1S/C16H13F3N6/c17-16(18,19)11-8-22-15(25-14(11)23-9-1-2-9)24-10-3-4-12-13(7-10)21-6-5-20-12/h3-9H,1-2H2,(H2,22,23,24,25)
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| InChIKey |
NEDPKPBACOHQAY-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