General Information of the Compound
| Compound ID |
CP0184301
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| Compound Name |
(2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(diethylamino)propyl]but-2-enediamide
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| Structure |
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| Formula |
C24H28BrN7O2
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| Molecular Weight |
526.439
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| Canonical SMILES |
CCN(CC)CCCNC(=O)\C=C\C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C24H28BrN7O2/c1-3-32(4-2)12-6-11-26-22(33)9-10-23(34)31-21-14-19-20(15-27-21)28-16-29-24(19)30-18-8-5-7-17(25)13-18/h5,7-10,13-16H,3-4,6,11-12H2,1-2H3,(H,26,33)(H,27,31,34)(H,28,29,30)/b10-9+
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| InChIKey |
TYPAATJNKNDNOD-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