General Information of the Compound
| Compound ID |
CP0052623
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| Compound Name |
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]urea
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| Structure |
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| Formula |
C18H16Cl2N4O4S
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| Molecular Weight |
455.323
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1C
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| InChI |
InChI=1S/C18H16Cl2N4O4S/c1-10-11(2)23-28-17(10)24-29(26,27)14-6-3-12(4-7-14)21-18(25)22-13-5-8-15(19)16(20)9-13/h3-9,24H,1-2H3,(H2,21,22,25)
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| InChIKey |
MFDXKWQZOYSRTF-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: PT01877, P2Y purinoceptor 1