General Information of the Compound
| Compound ID |
CP0170506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-2-hydroxy-3-(6-hydroxy-4-oxospiro[3H-chromene-2,3'-piperidine]-1'-yl)propyl]-3,5-dimethyl-N-pentyl-1,2-oxazole-4-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37N3O7S
|
||||||||||||||||||
| Molecular Weight |
535.663
|
||||||||||||||||||
| Canonical SMILES |
CCCCCN(C[C@@H](O)CN1CCCC2(C1)CC(=O)c1cc(O)ccc1O2)S(=O)(=O)c1c(C)noc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N3O7S/c1-4-5-6-12-29(37(33,34)25-18(2)27-36-19(25)3)16-21(31)15-28-11-7-10-26(17-28)14-23(32)22-13-20(30)8-9-24(22)35-26/h8-9,13,21,30-31H,4-7,10-12,14-17H2,1-3H3/t21-,26?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNDFZFNVVGFVSZ-GVNKFJBHSA-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