General Information of the Compound
| Compound ID |
CP0397918
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-(2-hydroxyethylamino)-4-methylquinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C20H19ClN4O2
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| Molecular Weight |
382.851
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| Canonical SMILES |
Cc1nc(NCCO)nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12
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| InChI |
InChI=1S/C20H19ClN4O2/c1-13-17-12-16(7-8-18(17)25-20(23-13)22-10-11-26)24-19(27)9-4-14-2-5-15(21)6-3-14/h2-9,12,26H,10-11H2,1H3,(H,24,27)(H,22,23,25)/b9-4+
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| InChIKey |
SQWCBYQDPFCMHQ-RUDMXATFSA-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