General Information of the Compound
| Compound ID |
CP0504392
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| Compound Name |
2-[2-(dimethylamino)-3-phenyl-4H-quinazolin-4-yl]-N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]acetamide
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| Structure |
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| Formula |
C31H30FN5O3S
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| Molecular Weight |
571.678
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| Canonical SMILES |
CN(C)C1=Nc2ccccc2C(CC(=O)NCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)N1c1ccccc1
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| InChI |
InChI=1S/C31H30FN5O3S/c1-36(2)31-34-28-11-7-6-10-27(28)29(37(31)25-8-4-3-5-9-25)20-30(38)33-21-22-12-16-24(17-13-22)35-41(39,40)26-18-14-23(32)15-19-26/h3-19,29,35H,20-21H2,1-2H3,(H,33,38)
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| InChIKey |
QTRSZPGOWFRCSK-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