General Information of the Compound
| Compound ID |
CP0900498
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| Compound Name |
SID22410719
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| Structure |
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| Formula |
C17H19Cl2N3O3S
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| Molecular Weight |
416.33
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| Canonical SMILES |
Cc1ccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)N(C)C
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| InChI |
InChI=1S/C17H19Cl2N3O3S/c1-11-4-5-13(9-16(11)26(24,25)22(2)3)21-17(23)10-20-12-6-7-14(18)15(19)8-12/h4-9,20H,10H2,1-3H3,(H,21,23)
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| InChIKey |
WVBAHJMVSSFBHN-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3