General Information of the Compound
| Compound ID |
CP0798078
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| Compound Name |
4-Oxo-pent-2-enoic acid [4-(3-bromo-phenylamino)-quinazolin-6-yl]-amide
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| Structure |
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| Formula |
C19H15BrN4O2
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| Molecular Weight |
411.259
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| Canonical SMILES |
CC(=O)/C=C/C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C19H15BrN4O2/c1-12(25)5-8-18(26)23-15-6-7-17-16(10-15)19(22-11-21-17)24-14-4-2-3-13(20)9-14/h2-11H,1H3,(H,23,26)(H,21,22,24)/b8-5+
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| InChIKey |
GOZHWVCSXUTKRE-VMPITWQZSA-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