General Information of the Compound
| Compound ID |
CP0449376
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| Compound Name |
4-N-pyrrolidin-3-yl-6-[4-(trifluoromethyl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C17H16F3N5S
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| Molecular Weight |
379.411
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| Canonical SMILES |
Nc1nc(NC2CCNC2)c2sc(cc2n1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H16F3N5S/c18-17(19,20)10-3-1-9(2-4-10)13-7-12-14(26-13)15(25-16(21)24-12)23-11-5-6-22-8-11/h1-4,7,11,22H,5-6,8H2,(H3,21,23,24,25)
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| InChIKey |
YMXLDCZQTRKESQ-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