General Information of the Compound
| Compound ID |
CP0412074
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| Compound Name |
(1,1,1-trifluoro-2-methylpropan-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 |
C31H33F3N2O5S
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| Molecular Weight |
602.675
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| Canonical SMILES |
CC(C)(OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C31H33F3N2O5S/c1-29(2,31(32,33)34)41-28(37)36-17-14-30(15-18-36)13-12-25-19-24(10-11-27(25)40-30)23-8-6-22(7-9-23)20-42(38,39)21-26-5-3-4-16-35-26/h3-11,16,19H,12-15,17-18,20-21H2,1-2H3
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| InChIKey |
BNWOOYNWOKHQMR-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