General Information of the Compound
| Compound ID |
CP0532672
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| Compound Name |
4-[[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
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| Structure |
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| Formula |
C15H13F3N6O
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| Molecular Weight |
350.304
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| Canonical SMILES |
NC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
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| InChI |
InChI=1S/C15H13F3N6O/c16-15(17,18)7-21-13-10-5-6-20-12(10)23-14(24-13)22-9-3-1-8(2-4-9)11(19)25/h1-6H,7H2,(H2,19,25)(H3,20,21,22,23,24)
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| InChIKey |
XDYFQGOCHIYAKX-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