General Information of the Compound
| Compound ID |
CP0392576
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| Compound Name |
[(2S)-1,1,1-trifluoropropan-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 |
C30H31F3N2O5S
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| Molecular Weight |
588.648
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| Canonical SMILES |
C[C@H](OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2ccccn2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H31F3N2O5S/c1-21(30(31,32)33)39-28(36)35-16-13-29(14-17-35)12-11-25-18-24(9-10-27(25)40-29)23-7-5-22(6-8-23)19-41(37,38)20-26-4-2-3-15-34-26/h2-10,15,18,21H,11-14,16-17,19-20H2,1H3/t21-/m0/s1
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| InChIKey |
BPSYRTWSVUOMPE-NRFANRHFSA-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