General Information of the Compound
| Compound ID |
CP0872951
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| Compound Name |
SID87340817
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| Formula |
C22H16N2O5S2
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| Molecular Weight |
452.513
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| Canonical SMILES |
COC(=O)c1ccccc1/N=C1\C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O
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| InChI |
InChI=1S/C22H16N2O5S2/c1-29-22(26)16-9-4-5-10-17(16)23-19-13-18(14-7-2-3-8-15(14)21(19)25)24-31(27,28)20-11-6-12-30-20/h2-13,24H,1H3/b23-19+
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| InChIKey |
RYRJMJWTFAZUTK-FCDQGJHFSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3