General Information of the Compound
| Compound ID |
CP0384153
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| Compound Name |
2-[benzylsulfonyl-[6-(3-chlorophenyl)-1,3-benzothiazol-2-yl]methyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C24H20ClN5O5S3
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| Molecular Weight |
590.108
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1cccc(Cl)c1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C24H20ClN5O5S3/c25-18-8-4-7-16(11-18)17-9-10-19-20(12-17)36-24(28-19)22(37(31,32)14-15-5-2-1-3-6-15)23-30-29-21(35-23)13-27-38(26,33)34/h1-12,22,27H,13-14H2,(H2,26,33,34)
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| InChIKey |
QTLKEMOUBMXNFP-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: PT01303, Endothelial lipase
Protein ID: PT02459, Hepatic triacylglycerol lipase