General Information of the Compound
| Compound ID |
CP0829960
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| Compound Name |
SID24806855
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| Structure |
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| Formula |
C14H15BrN4S
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| Molecular Weight |
351.273
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| Canonical SMILES |
Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(Br)cc1
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| InChI |
InChI=1S/C14H15BrN4S/c1-9-7-11(8-17-18-14(16)20)10(2)19(9)13-5-3-12(15)4-6-13/h3-8H,1-2H3,(H3,16,18,20)/b17-8+
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| InChIKey |
POODDBZLVKBOKF-CAOOACKPSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3