General Information of the Compound
| Compound ID |
CP0523536
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| Compound Name |
1,1,1,3,3,3-hexafluoropropan-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 |
C30H28F6N2O5S
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| Molecular Weight |
642.618
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| Canonical SMILES |
FC(F)(F)C(OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H28F6N2O5S/c31-29(32,33)26(30(34,35)36)42-27(39)38-15-12-28(13-16-38)11-10-23-17-22(8-9-25(23)43-28)21-6-4-20(5-7-21)18-44(40,41)19-24-3-1-2-14-37-24/h1-9,14,17,26H,10-13,15-16,18-19H2
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| InChIKey |
KVMSQQLHNQVVRI-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