General Information of the Compound
| Compound ID |
CP0303214
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| Compound Name |
MLS000394779
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| Structure |
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| Formula |
C18H16Cl2N4O3S4
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| Molecular Weight |
535.525
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| Canonical SMILES |
CN(C)S(=O)(=O)c1cc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)ccc1Cl
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| InChI |
InChI=1S/C18H16Cl2N4O3S4/c1-23(2)31(26,27)15-9-12(5-8-14(15)20)21-16(25)10-29-17-22-24(18(28)30-17)13-6-3-11(19)4-7-13/h3-9H,10H2,1-2H3,(H,21,25)
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| InChIKey |
WVGHXNLCEMICDU-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