General Information of the Compound
| Compound ID |
CP0291698
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| Compound Name |
2-cyano-N-(2-ethoxyethyl)-N-((2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[chroman-2,3'-piperidine]-1'-yl)propyl)benzenesulfonamide
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| Structure |
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| Formula |
C27H33N3O7S
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| Molecular Weight |
543.642
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1ccccc1C#N
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| InChI |
InChI=1S/C27H33N3O7S/c1-2-36-13-12-30(38(34,35)26-7-4-3-6-20(26)16-28)18-22(32)17-29-11-5-10-27(19-29)15-24(33)23-14-21(31)8-9-25(23)37-27/h3-4,6-9,14,22,31-32H,2,5,10-13,15,17-19H2,1H3/t22-,27?/m0/s1
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| InChIKey |
ZPHJYLLAOXJARH-YMQLSTQVSA-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