General Information of the Compound
| Compound ID |
CP0152415
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| Compound Name |
MLS000521783
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| Structure |
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| Formula |
C18H19N3O4S
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| Molecular Weight |
373.434
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| Canonical SMILES |
Cc1cc(C)cc(NS(=O)(=O)c2ccc3n(C)c(=O)n(C)c(=O)c3c2)c1
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| InChI |
InChI=1S/C18H19N3O4S/c1-11-7-12(2)9-13(8-11)19-26(24,25)14-5-6-16-15(10-14)17(22)21(4)18(23)20(16)3/h5-10,19H,1-4H3
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| InChIKey |
SHQLILAPHBSSSY-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