General Information of the Compound
| Compound ID |
CP0469341
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| Compound Name |
N-[4-chloro-2-cyano-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]propane-1-sulfonamide
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| Structure |
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| Formula |
C19H18ClN5O3S
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| Molecular Weight |
431.905
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(Cl)c(Nc2ccc3ncn(C)c(=O)c3c2)c1C#N
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| InChI |
InChI=1S/C19H18ClN5O3S/c1-3-8-29(27,28)24-17-7-5-15(20)18(14(17)10-21)23-12-4-6-16-13(9-12)19(26)25(2)11-22-16/h4-7,9,11,23-24H,3,8H2,1-2H3
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| InChIKey |
GUKFFGXZLWRRBB-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