General Information of the Compound
| Compound ID |
CP0888241
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| Compound Name |
4-(6,7-dimethoxyquinazolin-4-yl)-N-(4-(N-pyrimidin-2-ylsulfamoyl)phenyl)piperazine-1-carbothioamide
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| Structure |
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| Formula |
C25H26N8O4S2
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| Molecular Weight |
566.669
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| Canonical SMILES |
COc1cc2ncnc(N3CCN(C(=S)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)CC3)c2cc1OC
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| InChI |
InChI=1S/C25H26N8O4S2/c1-36-21-14-19-20(15-22(21)37-2)28-16-29-23(19)32-10-12-33(13-11-32)25(38)30-17-4-6-18(7-5-17)39(34,35)31-24-26-8-3-9-27-24/h3-9,14-16H,10-13H2,1-2H3,(H,30,38)(H,26,27,31)
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| InChIKey |
MUQXLPQDKAJNMQ-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT00888, Mast/stem cell growth factor receptor Kit
Protein ID: PT01092, Platelet-derived growth factor receptor alpha