General Information of the Compound
| Compound ID |
CP0680669
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| Compound Name |
4-Amino-quinazoline-8-carboxylic Acid [6-Chloro-2-fluoro-3-(3-fluoro-propane-1-sulfonylamino)-phenyl]-amide
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| Structure |
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| Formula |
C18H16ClF2N5O3S
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| Molecular Weight |
455.874
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| Canonical SMILES |
Nc1ncnc2c(C(=O)Nc3c(Cl)ccc(NS(=O)(=O)CCCF)c3F)cccc12
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| InChI |
InChI=1S/C18H16ClF2N5O3S/c19-12-5-6-13(26-30(28,29)8-2-7-20)14(21)16(12)25-18(27)11-4-1-3-10-15(11)23-9-24-17(10)22/h1,3-6,9,26H,2,7-8H2,(H,25,27)(H2,22,23,24)
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| InChIKey |
YECBZSLANLTEOA-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