General Information of the Compound
| Compound ID |
CP0415686
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| Compound Name |
N-[2-chloro-3-[ethyl-(3-methyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]propane-1-sulfonamide
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| Structure |
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| Formula |
C20H22ClFN4O3S
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| Molecular Weight |
452.939
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(N(CC)c2ccc3ncn(C)c(=O)c3c2)c1Cl
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| InChI |
InChI=1S/C20H22ClFN4O3S/c1-4-10-30(28,29)24-17-9-7-15(22)19(18(17)21)26(5-2)13-6-8-16-14(11-13)20(27)25(3)12-23-16/h6-9,11-12,24H,4-5,10H2,1-3H3
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| InChIKey |
OGYQETQKMSCPAX-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