General Information of the Compound
| Compound ID |
CP0352062
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| Compound Name |
N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide
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| Synonyms |
BDBM50077245
CHEMBL297968
FAGJCAQBJKSOOS-UHFFFAOYSA-N
N-(4-m-Tolylamino-quinazolin-7-yl)-acrylamide
N-[4-(3-Methylanilino)quinazoline-7-yl]acrylamide
SCHEMBL2994207
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| Structure |
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| Formula |
C18H16N4O
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| Molecular Weight |
304.353
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| Canonical SMILES |
Cc1cccc(Nc2ncnc3cc(NC(=O)C=C)ccc23)c1
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| InChI |
InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-15-16(10-14)19-11-20-18(15)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)
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| InChIKey |
FAGJCAQBJKSOOS-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