General Information of the Compound
| Compound ID |
CP0502849
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| Compound Name |
N-[6-methyl-3-(2-phenylethynyl)-2H-indazol-5-yl]-2-thiophen-2-ylacetamide
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| Structure |
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| Formula |
C22H17N3OS
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| Molecular Weight |
371.465
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| Canonical SMILES |
Cc1cc2[nH]nc(C#Cc3ccccc3)c2cc1NC(=O)Cc1cccs1
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| InChI |
InChI=1S/C22H17N3OS/c1-15-12-21-18(14-20(15)23-22(26)13-17-8-5-11-27-17)19(24-25-21)10-9-16-6-3-2-4-7-16/h2-8,11-12,14H,13H2,1H3,(H,23,26)(H,24,25)
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| InChIKey |
HFTUUUTZQAVFBK-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: PT01223, Aurora kinase B