General Information of the Compound
| Compound ID |
CP0536878
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| Compound Name |
propan-2-yl 6-[4-(pyridin-2-ylmethylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
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| Structure |
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| Formula |
C30H34N2O5S
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| Molecular Weight |
534.678
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| Canonical SMILES |
CC(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
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| InChI |
InChI=1S/C30H34N2O5S/c1-22(2)36-29(33)32-17-14-30(15-18-32)13-12-26-19-25(10-11-28(26)37-30)24-8-6-23(7-9-24)20-38(34,35)21-27-5-3-4-16-31-27/h3-11,16,19,22H,12-15,17-18,20-21H2,1-2H3
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| InChIKey |
KZWDWXLVGMERCU-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