General Information of the Compound
| Compound ID |
CP0262349
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| Compound Name |
MLS000526265
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| Structure |
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| Formula |
C15H13N5O3S2
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| Molecular Weight |
375.435
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| Canonical SMILES |
CC(=O)Nc1nc(C)c(s1)-c1csc(Nc2cccc(c2)[N+]([O-])=O)n1
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| InChI |
InChI=1S/C15H13N5O3S2/c1-8-13(25-15(16-8)17-9(2)21)12-7-24-14(19-12)18-10-4-3-5-11(6-10)20(22)23/h3-7H,1-2H3,(H,18,19)(H,16,17,21)
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| InChIKey |
VCGYNRNTEBKAIL-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