General Information of the Compound
| Compound ID |
CP0485245
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| Compound Name |
2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]acetamide
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| Synonyms |
CHEMBL214498
KYS-05070
SCHEMBL14417348
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| Structure |
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| Formula |
C28H33N5O3S
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| Molecular Weight |
519.671
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| Canonical SMILES |
CCN1C(CC(=O)NCc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c2ccccc2N=C1N(C)C
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| InChI |
InChI=1S/C28H33N5O3S/c1-5-33-26(24-8-6-7-9-25(24)30-28(33)32(3)4)18-27(34)29-19-21-12-14-22(15-13-21)31-37(35,36)23-16-10-20(2)11-17-23/h6-17,26,31H,5,18-19H2,1-4H3,(H,29,34)
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| InChIKey |
UBFZYFFOQNFRPD-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
Clinical Information about the Compound