General Information of the Compound
| Compound ID |
CP0426566
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| Compound Name |
tert-butyl 6-(4-methylsulfonylphenyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
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| Structure |
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| Formula |
C25H31NO5S
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| Molecular Weight |
457.592
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H31NO5S/c1-24(2,3)31-23(27)26-15-13-25(14-16-26)12-11-20-17-19(7-10-22(20)30-25)18-5-8-21(9-6-18)32(4,28)29/h5-10,17H,11-16H2,1-4H3
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| InChIKey |
OYNGEJWQHNPJSF-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