General Information of the Compound
| Compound ID |
CP0888186
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| Compound Name |
SID57266851
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| Structure |
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| Formula |
C21H19N3O7S2
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| Molecular Weight |
489.531
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| Canonical SMILES |
Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)cs1
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| InChI |
InChI=1S/C21H19N3O7S2/c1-13-5-3-4-6-16(13)23-19(25)10-20-22-15(12-32-20)11-31-21(26)14-7-8-18(33(2,29)30)17(9-14)24(27)28/h3-9,12H,10-11H2,1-2H3,(H,23,25)
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| InChIKey |
DGNWMMBIQMQHLG-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: PT06033, Microphthalmia-associated transcription factor