General Information of the Compound
| Compound ID |
CP0492249
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| Compound Name |
N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-4-[2-(dimethylamino)ethylamino]-6-methylquinazoline-8-carboxamide
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| Formula |
C26H24ClF3N6O3S
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| Molecular Weight |
593.031
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| Canonical SMILES |
CN(C)CCNc1ncnc2c(cc(C)cc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
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| InChI |
InChI=1S/C26H24ClF3N6O3S/c1-14-10-16-23(32-13-33-25(16)31-8-9-36(2)3)17(11-14)26(37)34-24-18(27)5-7-20(22(24)30)35-40(38,39)21-12-15(28)4-6-19(21)29/h4-7,10-13,35H,8-9H2,1-3H3,(H,34,37)(H,31,32,33)
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| InChIKey |
UQPUQRQAVLTTAE-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