General Information of the Compound
| Compound ID |
CP0194067
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| Compound Name |
3-(Dimethylamino)propyl (2E)-4-{[4-(3-Bromoanilino)-6-quinazolinyl]amino}-4-oxo-2-butenoate
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| Structure |
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| Formula |
C23H24BrN5O3
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| Molecular Weight |
498.381
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| Canonical SMILES |
CN(C)CCCOC(=O)\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C23H24BrN5O3/c1-29(2)11-4-12-32-22(31)10-9-21(30)27-18-7-8-20-19(14-18)23(26-15-25-20)28-17-6-3-5-16(24)13-17/h3,5-10,13-15H,4,11-12H2,1-2H3,(H,27,30)(H,25,26,28)/b10-9+
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| InChIKey |
BBIKEXVBWCYZFP-MDZDMXLPSA-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