General Information of the Compound
| Compound ID |
CP0552044
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| Compound Name |
N-(1,3-benzothiazol-5-yl)-1-[(3-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C22H23N3O4S2
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| Molecular Weight |
457.577
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| Canonical SMILES |
CC1COc2ccc(cc12)S(=O)(=O)N1CCC(CC1)C(=O)Nc1ccc2scnc2c1
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| InChI |
InChI=1S/C22H23N3O4S2/c1-14-12-29-20-4-3-17(11-18(14)20)31(27,28)25-8-6-15(7-9-25)22(26)24-16-2-5-21-19(10-16)23-13-30-21/h2-5,10-11,13-15H,6-9,12H2,1H3,(H,24,26)
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| InChIKey |
GENULIYVANRSHB-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