General Information of the Compound
| Compound ID |
CP0008489
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| Compound Name |
7-bromo-3,6,6-trimethyl-1-(1,3-thiazol-2-yl)-5,7-dihydroindazol-4-one
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| Structure |
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| Formula |
C13H14BrN3OS
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| Molecular Weight |
340.246
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| Canonical SMILES |
Cc1nn(-c2nccs2)c2C(Br)C(C)(C)CC(=O)c12
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| InChI |
InChI=1S/C13H14BrN3OS/c1-7-9-8(18)6-13(2,3)11(14)10(9)17(16-7)12-15-4-5-19-12/h4-5,11H,6H2,1-3H3
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| InChIKey |
KSDTZAWGXZOFIW-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: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3