General Information of the Compound
| Compound ID |
CP0384152
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| Compound Name |
2-[benzylsulfonyl-(6-phenyl-1,3-benzothiazol-2-yl)methyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C24H21N5O5S3
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| Molecular Weight |
555.663
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1ccccc1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C24H21N5O5S3/c25-37(32,33)26-14-21-28-29-23(34-21)22(36(30,31)15-16-7-3-1-4-8-16)24-27-19-12-11-18(13-20(19)35-24)17-9-5-2-6-10-17/h1-13,22,26H,14-15H2,(H2,25,32,33)
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| InChIKey |
XLWWLJLSGXYJJY-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