General Information of the Compound
| Compound ID |
CP0568502
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| Compound Name |
4-(2-aminoethylamino)-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide
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| Formula |
C24H20ClF3N6O3S
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| Molecular Weight |
564.977
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| Canonical SMILES |
Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1
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| InChI |
InChI=1S/C24H20ClF3N6O3S/c1-12-8-14-21(31-11-32-23(14)30-7-6-29)15(9-12)24(35)33-22-16(25)3-5-18(20(22)28)34-38(36,37)19-10-13(26)2-4-17(19)27/h2-5,8-11,34H,6-7,29H2,1H3,(H,33,35)(H,30,31,32)
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| InChIKey |
OUYVKASWKZDQCL-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