General Information of the Compound
| Compound ID |
CP0871195
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| Compound Name |
2-[4-(3-Oxo-3H-[1,2]dithiol-4-yl)-phenoxy]-N-[4-(3-trifluoromethyl-phenylamino)-quinazolin-6-yl]-acetamie
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| Formula |
C26H17F3N4O3S2
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| Molecular Weight |
554.575
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| Canonical SMILES |
O=C(COc1ccc(-c2cssc2=O)cc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C26H17F3N4O3S2/c27-26(28,29)16-2-1-3-17(10-16)33-24-20-11-18(6-9-22(20)30-14-31-24)32-23(34)12-36-19-7-4-15(5-8-19)21-13-37-38-25(21)35/h1-11,13-14H,12H2,(H,32,34)(H,30,31,33)
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| InChIKey |
FXWHQHVLSXRKQV-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