General Information of the Compound
| Compound ID |
CP0578280
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| Compound Name |
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-(2-methylpyrazol-3-yl)quinazoline-8-carboxamide
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| Formula |
C25H17ClF3N7O3S
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| Molecular Weight |
587.971
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| Canonical SMILES |
Cn1nccc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
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| InChI |
InChI=1S/C25H17ClF3N7O3S/c1-36-19(6-7-33-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)34-23-16(26)3-5-18(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,34,37)(H2,30,31,32)
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| InChIKey |
HKFSUSXWMZJXDT-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