General Information of the Compound
| Compound ID |
CP0401455
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| Compound Name |
2-N-methyl-4-N-(2,2,2-trifluoroethyl)-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C16H12F6N4S
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| Molecular Weight |
406.355
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| Canonical SMILES |
CNc1nc(NCC(F)(F)F)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C16H12F6N4S/c1-23-14-25-10-6-11(8-2-4-9(5-3-8)16(20,21)22)27-12(10)13(26-14)24-7-15(17,18)19/h2-6H,7H2,1H3,(H2,23,24,25,26)
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| InChIKey |
RXFCUSFIJMRLCA-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