General Information of the Compound
| Compound ID |
CP0457435
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| Compound Name |
5-amino-2-(cyclopropylamino)-4-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C24H20F3N7O2S
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| Molecular Weight |
527.532
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| Canonical SMILES |
NC(=O)c1sc2nc(NC3CC3)nc(-c3cccc(NC(=O)Nc4ccc(cc4)C(F)(F)F)c3)c2c1N
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| InChI |
InChI=1S/C24H20F3N7O2S/c25-24(26,27)12-4-6-14(7-5-12)31-23(36)32-15-3-1-2-11(10-15)18-16-17(28)19(20(29)35)37-21(16)34-22(33-18)30-13-8-9-13/h1-7,10,13H,8-9,28H2,(H2,29,35)(H,30,33,34)(H2,31,32,36)
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| InChIKey |
RVPNRQPMZBNTBC-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