General Information of the Compound
Compound ID |
CP0308933
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Compound Name |
(2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(dimethylamino)propyl]-N''-methylbut-2-enediamide
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Structure |
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Formula |
C23H26BrN7O2
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Molecular Weight |
512.412
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Canonical SMILES |
CN(C)CCCNC(=O)\C=C\C(=O)N(C)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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InChI |
InChI=1S/C23H26BrN7O2/c1-30(2)11-5-10-25-21(32)8-9-22(33)31(3)20-13-18-19(14-26-20)27-15-28-23(18)29-17-7-4-6-16(24)12-17/h4,6-9,12-15H,5,10-11H2,1-3H3,(H,25,32)(H,27,28,29)/b9-8+
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InChIKey |
NXHJGHKRQJSQMH-CMDGGOBGSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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