General Information of the Compound
| Compound ID |
CP0712439
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| Compound Name |
SID17432729
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| Structure |
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| Formula |
C17H12ClN3O3S2
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| Molecular Weight |
405.888
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| Canonical SMILES |
O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C17H12ClN3O3S2/c18-12-6-4-11(5-7-12)15-9-25-17(20-15)26-10-16(22)19-13-2-1-3-14(8-13)21(23)24/h1-9H,10H2,(H,19,22)
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| InChIKey |
RPBMFDLLSMDJII-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