General Information of the Compound
| Compound ID |
CP0256674
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| Compound Name |
4-amino-N-[6-chloro-3-[(2-chlorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1,3-dimethylpyrazol-4-yl)quinazoline-8-carboxamide
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| Formula |
C26H20Cl2FN7O3S
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| Molecular Weight |
600.463
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| Canonical SMILES |
Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1
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| InChI |
InChI=1S/C26H20Cl2FN7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-19(28)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-18(21)27/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)
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| InChIKey |
BOXSRLFIMBYIRN-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