General Information of the Compound
| Compound ID |
CP0570409
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| Compound Name |
3-[2-[(5-thiophen-3-ylpyridin-2-yl)amino]-4-[3-(trifluoromethyl)anilino]pyrimidin-5-yl]benzamide
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| Structure |
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| Formula |
C27H19F3N6OS
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| Molecular Weight |
532.551
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1cnc(Nc2ccc(cn2)-c2ccsc2)nc1Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H19F3N6OS/c28-27(29,30)20-5-2-6-21(12-20)34-25-22(16-3-1-4-17(11-16)24(31)37)14-33-26(36-25)35-23-8-7-18(13-32-23)19-9-10-38-15-19/h1-15H,(H2,31,37)(H2,32,33,34,35,36)
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| InChIKey |
NGACBAAYLMDCFT-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