General Information of the Compound
| Compound ID |
CP0455147
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| Compound Name |
methyl N-[4-[2-[benzylsulfonyl-[5-[(sulfamoylamino)methyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-benzothiazol-6-yl]phenyl]carbamate
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| Structure |
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| Formula |
C26H24N6O7S3
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| Molecular Weight |
628.714
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| Canonical SMILES |
COC(=O)Nc1ccc(cc1)-c1ccc2nc(sc2c1)C(c1nnc(CNS(N)(=O)=O)o1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C26H24N6O7S3/c1-38-26(33)29-19-10-7-17(8-11-19)18-9-12-20-21(13-18)40-25(30-20)23(41(34,35)15-16-5-3-2-4-6-16)24-32-31-22(39-24)14-28-42(27,36)37/h2-13,23,28H,14-15H2,1H3,(H,29,33)(H2,27,36,37)
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| InChIKey |
WHRXSLZLOPSMQN-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