General Information of the Compound
| Compound ID |
CP0878675
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| Compound Name |
2-(5-(4-Bromophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
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| Structure |
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| Formula |
C19H16BrN3OS
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| Molecular Weight |
414.328
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| Canonical SMILES |
Cc1ccc(C2=NN(C3=NC(=O)CS3)C(c3ccc(Br)cc3)C2)cc1
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| InChI |
InChI=1S/C19H16BrN3OS/c1-12-2-4-13(5-3-12)16-10-17(14-6-8-15(20)9-7-14)23(22-16)19-21-18(24)11-25-19/h2-9,17H,10-11H2,1H3
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| InChIKey |
DMSGOCXLZYJECI-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: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2