General Information of the Compound
| Compound ID |
CP0482633
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| Compound Name |
N-[3-[(3-benzyl-4-oxoquinazolin-6-yl)amino]-2-chloro-4-fluorophenyl]propane-1-sulfonamide
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| Structure |
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| Formula |
C24H22ClFN4O3S
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| Molecular Weight |
500.983
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncn(Cc4ccccc4)c(=O)c3c2)c1Cl
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| InChI |
InChI=1S/C24H22ClFN4O3S/c1-2-12-34(32,33)29-21-11-9-19(26)23(22(21)25)28-17-8-10-20-18(13-17)24(31)30(15-27-20)14-16-6-4-3-5-7-16/h3-11,13,15,28-29H,2,12,14H2,1H3
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| InChIKey |
BYDIPFSMPHWOPH-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