General Information of the Compound
| Compound ID |
CP0455148
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| Compound Name |
4-[4-[2-[benzylsulfonyl-[5-[(sulfamoylamino)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzothiazol-6-yl]-2-chlorobenzoyl]morpholine
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| Structure |
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| Formula |
C29H27ClN6O7S3
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| Molecular Weight |
703.224
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1ccc(C(=O)N2CCOCC2)c(Cl)c1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C29H27ClN6O7S3/c30-22-14-19(6-8-21(22)29(37)36-10-12-42-13-11-36)20-7-9-23-24(15-20)44-28(33-23)26(45(38,39)17-18-4-2-1-3-5-18)27-35-34-25(43-27)16-32-46(31,40)41/h1-9,14-15,26,32H,10-13,16-17H2,(H2,31,40,41)
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| InChIKey |
SMWIKHQGVFQHQV-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