General Information of the Compound
| Compound ID |
CP0384139
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| Compound Name |
5-[[5-[methylsulfonyl-[6-[4-(morpholine-4-carbonyl)phenyl]-1,3-benzothiazol-2-yl]methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C26H23N5O7S3
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| Molecular Weight |
613.699
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| Canonical SMILES |
CS(=O)(=O)C(c1nnc(CC2SC(=O)NC2=O)o1)c1nc2ccc(cc2s1)-c1ccc(cc1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C26H23N5O7S3/c1-41(35,36)21(23-30-29-20(38-23)13-19-22(32)28-26(34)40-19)24-27-17-7-6-16(12-18(17)39-24)14-2-4-15(5-3-14)25(33)31-8-10-37-11-9-31/h2-7,12,19,21H,8-11,13H2,1H3,(H,28,32,34)
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| InChIKey |
VTGUKEFEIRIGHJ-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