General Information of the Compound
| Compound ID |
CP0577642
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| Compound Name |
N-(1,3-benzothiazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-N-methylpiperidine-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 |
CN(C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1)c1ccc2scnc2c1
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| InChI |
InChI=1S/C22H23N3O4S2/c1-24(17-2-5-21-19(13-17)23-14-30-21)22(26)15-6-9-25(10-7-15)31(27,28)18-3-4-20-16(12-18)8-11-29-20/h2-5,12-15H,6-11H2,1H3
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| InChIKey |
AEQQHQBIXAUWKK-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