General Information of the Compound
| Compound ID |
CP0272176
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| Compound Name |
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
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| Synonyms |
Benzothiazole analog 3
PMID26815044-Compound-38
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| Structure |
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| Formula |
C24H23N3O3S3
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| Molecular Weight |
497.667
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| Canonical SMILES |
Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)C2CCN(CC2)S(=O)(=O)c2cccs2)cc1
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| InChI |
InChI=1S/C24H23N3O3S3/c1-16-4-9-20-21(15-16)32-24(26-20)18-5-7-19(8-6-18)25-23(28)17-10-12-27(13-11-17)33(29,30)22-3-2-14-31-22/h2-9,14-15,17H,10-13H2,1H3,(H,25,28)
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| InChIKey |
IVGKSFUEBSXSAE-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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Clinical Information about the Compound