General Information of the Compound
| Compound ID |
CP0291697
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propyl]-2-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C27H36N2O8S
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| Molecular Weight |
548.658
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1ccccc1OC
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| InChI |
InChI=1S/C27H36N2O8S/c1-3-36-14-13-29(38(33,34)26-8-5-4-7-25(26)35-2)18-21(31)17-28-12-6-11-27(19-28)16-23(32)22-15-20(30)9-10-24(22)37-27/h4-5,7-10,15,21,30-31H,3,6,11-14,16-19H2,1-2H3/t21-,27?/m0/s1
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| InChIKey |
UREDWEOAHWPLON-LWAJAQLZSA-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