General Information of the Compound
| Compound ID |
CP0403747
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| Compound Name |
(E)-3-(5-bromothiophen-2-yl)-N-[4-(3-chloroanilino)quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C21H14BrClN4OS
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| Molecular Weight |
485.794
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| Canonical SMILES |
Clc1cccc(Nc2ncnc3ccc(NC(=O)\C=C\c4ccc(Br)s4)cc23)c1
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| InChI |
InChI=1S/C21H14BrClN4OS/c22-19-8-5-16(29-19)6-9-20(28)26-15-4-7-18-17(11-15)21(25-12-24-18)27-14-3-1-2-13(23)10-14/h1-12H,(H,26,28)(H,24,25,27)/b9-6+
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| InChIKey |
XJNNJTOVVIQAMW-RMKNXTFCSA-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