General Information of the Compound
| Compound ID |
CP0578800
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| Compound Name |
(2R,4S)-N-(1,3-benzothiazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-2-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 |
C[C@@H]1C[C@H](CCN1S(=O)(=O)c1ccc2OCCc2c1)C(=O)Nc1ccc2scnc2c1
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| InChI |
InChI=1S/C22H23N3O4S2/c1-14-10-16(22(26)24-17-2-5-21-19(12-17)23-13-30-21)6-8-25(14)31(27,28)18-3-4-20-15(11-18)7-9-29-20/h2-5,11-14,16H,6-10H2,1H3,(H,24,26)/t14-,16+/m1/s1
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| InChIKey |
DCPILYNBCOWLNF-ZBFHGGJFSA-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