General Information of the Compound
| Compound ID |
CP0426564
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| Compound Name |
tert-butyl 6-[4-(2-methylsulfonylethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
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| Structure |
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| Formula |
C27H35NO5S
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| Molecular Weight |
485.646
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CCS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C27H35NO5S/c1-26(2,3)33-25(29)28-16-14-27(15-17-28)13-11-23-19-22(9-10-24(23)32-27)21-7-5-20(6-8-21)12-18-34(4,30)31/h5-10,19H,11-18H2,1-4H3
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| InChIKey |
WKXANGWLHHZQDS-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