General Information of the Compound
| Compound ID |
CP0731366
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| Compound Name |
4-Amino-quinazoline-8-carboxylic Acid [2-Chloro-6-fluoro-3-(propane-1-sulfonylamino)-phenyl]-amide
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| Structure |
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| Formula |
C18H17ClFN5O3S
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| Molecular Weight |
437.884
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2cccc3c(N)ncnc23)c1Cl
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| InChI |
InChI=1S/C18H17ClFN5O3S/c1-2-8-29(27,28)25-13-7-6-12(20)16(14(13)19)24-18(26)11-5-3-4-10-15(11)22-9-23-17(10)21/h3-7,9,25H,2,8H2,1H3,(H,24,26)(H2,21,22,23)
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| InChIKey |
BWIBXPUNDXCUBH-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