General Information of the Compound
| Compound ID |
CP0440217
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| Compound Name |
tert-butyl 6-[4-(methylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
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| Structure |
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| Formula |
C26H33NO5S
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| Molecular Weight |
471.619
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C26H33NO5S/c1-25(2,3)32-24(28)27-15-13-26(14-16-27)12-11-22-17-21(9-10-23(22)31-26)20-7-5-19(6-8-20)18-33(4,29)30/h5-10,17H,11-16,18H2,1-4H3
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| InChIKey |
MCWYHGUOTIIIQN-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