General Information of the Compound
| Compound ID |
CP0884735
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| Compound Name |
SID17506356
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| Structure |
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| Formula |
C22H20ClN3O5S
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| Molecular Weight |
473.938
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| Canonical SMILES |
Cc1ccccc1CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H20ClN3O5S/c1-16-5-2-3-6-17(16)14-25(32(30,31)21-11-9-18(23)10-12-21)15-22(27)24-19-7-4-8-20(13-19)26(28)29/h2-13H,14-15H2,1H3,(H,24,27)
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| InChIKey |
SXERFIJKQYDJTR-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3