General Information of the Compound
| Compound ID |
CP0847129
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| Compound Name |
2-(5-Phenyl-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
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| Structure |
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| Formula |
C19H17N3OS
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| Molecular Weight |
335.432
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| Canonical SMILES |
Cc1ccc(C2=NN(C3=NC(=O)CS3)C(c3ccccc3)C2)cc1
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| InChI |
InChI=1S/C19H17N3OS/c1-13-7-9-14(10-8-13)16-11-17(15-5-3-2-4-6-15)22(21-16)19-20-18(23)12-24-19/h2-10,17H,11-12H2,1H3
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| InChIKey |
OQVSAKUFJLVWSE-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