General Information of the Compound
| Compound ID |
CP0514153
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| Compound Name |
2,2,2-trifluoroethyl 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 |
C29H29F3N2O5S
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| Molecular Weight |
574.621
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| Canonical SMILES |
FC(F)(F)COC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1
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| InChI |
InChI=1S/C29H29F3N2O5S/c30-29(31,32)20-38-27(35)34-15-12-28(13-16-34)11-10-24-17-23(8-9-26(24)39-28)22-6-4-21(5-7-22)18-40(36,37)19-25-3-1-2-14-33-25/h1-9,14,17H,10-13,15-16,18-20H2
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| InChIKey |
RCAODUCAIOXMTA-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