General Information of the Compound
| Compound ID |
CP0384200
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| Compound Name |
2-[benzylsulfonyl-[6-(3,4-dichlorophenyl)-1,3-benzothiazol-2-yl]methyl]-5-[(sulfamoylamino)methyl]-1,3,4-oxadiazole
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| Structure |
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| Formula |
C24H19Cl2N5O5S3
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| Molecular Weight |
624.553
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| Canonical SMILES |
NS(=O)(=O)NCc1nnc(o1)C(c1nc2ccc(cc2s1)-c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C24H19Cl2N5O5S3/c25-17-8-6-15(10-18(17)26)16-7-9-19-20(11-16)37-24(29-19)22(38(32,33)13-14-4-2-1-3-5-14)23-31-30-21(36-23)12-28-39(27,34)35/h1-11,22,28H,12-13H2,(H2,27,34,35)
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| InChIKey |
UQTPHMQZGCEMKG-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