General Information of the Compound
| Compound ID |
CP0477656
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| Compound Name |
2-[2-(dimethylamino)-3-ethyl-4H-quinazolin-4-yl]-N-[[4-[(4-fluorophenyl)sulfonylamino]phenyl]methyl]acetamide
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| Synonyms |
CHEMBL214951
KYS-05071
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| Structure |
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| Formula |
C27H30FN5O3S
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| Molecular Weight |
523.634
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| Canonical SMILES |
CCN1C(CC(=O)NCc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c2ccccc2N=C1N(C)C
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| InChI |
InChI=1S/C27H30FN5O3S/c1-4-33-25(23-7-5-6-8-24(23)30-27(33)32(2)3)17-26(34)29-18-19-9-13-21(14-10-19)31-37(35,36)22-15-11-20(28)12-16-22/h5-16,25,31H,4,17-18H2,1-3H3,(H,29,34)
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| InChIKey |
HWGHVXQPQONJBP-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