General Information of the Compound
| Compound ID |
CP0389389
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| Compound Name |
tert-butyl 6-[4-(pyridin-3-ylmethylsulfonylmethyl)phenyl]spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
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| Structure |
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| Formula |
C31H36N2O5S
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| Molecular Weight |
548.705
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC2(CC1)CCc1cc(ccc1O2)-c1ccc(CS(=O)(=O)Cc2cccnc2)cc1
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| InChI |
InChI=1S/C31H36N2O5S/c1-30(2,3)38-29(34)33-17-14-31(15-18-33)13-12-27-19-26(10-11-28(27)37-31)25-8-6-23(7-9-25)21-39(35,36)22-24-5-4-16-32-20-24/h4-11,16,19-20H,12-15,17-18,21-22H2,1-3H3
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| InChIKey |
JVKQWSXRICFIOZ-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