General Information of the Compound
| Compound ID |
CP0437847
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| Compound Name |
(2R)-1-(1,3-benzodioxol-5-ylsulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C23H23N3O6S2
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| Molecular Weight |
501.586
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| Canonical SMILES |
COc1ccc(cc1)-c1csc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc3OCOc3c2)n1
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| InChI |
InChI=1S/C23H23N3O6S2/c1-30-16-7-5-15(6-8-16)18-13-33-23(24-18)25-22(27)19-4-2-3-11-26(19)34(28,29)17-9-10-20-21(12-17)32-14-31-20/h5-10,12-13,19H,2-4,11,14H2,1H3,(H,24,25,27)/t19-/m1/s1
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| InChIKey |
DBBOQJMMLCGLIJ-LJQANCHMSA-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