General Information of the Compound
| Compound ID |
CP0295032
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| Compound Name |
N-[4-(3-bromoanilino)-7-[3-(diethylamino)propylsulfanyl]quinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C24H28BrN5OS
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| Molecular Weight |
514.493
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| Canonical SMILES |
CCN(CC)CCCSc1cc2ncnc(Nc3cccc(Br)c3)c2cc1NC(=O)C=C
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| InChI |
InChI=1S/C24H28BrN5OS/c1-4-23(31)29-21-14-19-20(15-22(21)32-12-8-11-30(5-2)6-3)26-16-27-24(19)28-18-10-7-9-17(25)13-18/h4,7,9-10,13-16H,1,5-6,8,11-12H2,2-3H3,(H,29,31)(H,26,27,28)
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| InChIKey |
DHTCKGXFZBUXRM-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