General Information of the Compound
| Compound ID |
CP0553171
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| Compound Name |
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]quinazoline-8-carboxamide
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| Formula |
C21H13ClF3N5O3S
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| Molecular Weight |
507.881
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| Canonical SMILES |
Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
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| InChI |
InChI=1S/C21H13ClF3N5O3S/c22-13-5-7-15(30-34(32,33)16-8-10(23)4-6-14(16)24)17(25)19(13)29-21(31)12-3-1-2-11-18(12)27-9-28-20(11)26/h1-9,30H,(H,29,31)(H2,26,27,28)
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| InChIKey |
KZFZQZATXCDMJU-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