General Information of the Compound
| Compound ID |
CP0245468
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-(6-hydroxyspiro[3,4-dihydrochromene-2,3'-piperidine]-1'-yl)propyl]-2,6-dimethylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H40N2O6S
|
||||||||||||||||||
| Molecular Weight |
532.703
|
||||||||||||||||||
| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H40N2O6S/c1-4-35-16-15-30(37(33,34)27-21(2)7-5-8-22(27)3)19-25(32)18-29-14-6-12-28(20-29)13-11-23-17-24(31)9-10-26(23)36-28/h5,7-10,17,25,31-32H,4,6,11-16,18-20H2,1-3H3/t25-,28?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDVVGAZDAXSUBA-ALLRNTDFSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound