General Information of the Compound
| Compound ID |
CP0271317
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
L-706,000
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM24064
CHEMBL477015
GTPL2607
L 706000
L-706,000
L-706000
MK 499
MK-499
MK499
N-[(4R)-1''-[(2R)-6-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3,4-dihydrospiro[1-benzopyran-2,4''-piperidine]-4-ol]methanesulfonamide
N-[[3,4-Dihydro-4beta-hydroxy-1'-[[(R)-6-cyano-1,2,3,4-tetrahydronaphthalen]-2-yl]spiro[2H-1-benzopyran-2,4'-piperidin]]-6-yl]methanesulfonamide
SCHEMBL4706649
[35S]-MK499
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N3O4S
|
||||||||||||||||||
| Molecular Weight |
467.591
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Nc1ccc2OC3(CCN(CC3)[C@@H]3CCc4cc(ccc4C3)C#N)C[C@@H](O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O4S/c1-33(30,31)27-20-5-7-24-22(14-20)23(29)15-25(32-24)8-10-28(11-9-25)21-6-4-18-12-17(16-26)2-3-19(18)13-21/h2-3,5,7,12,14,21,23,27,29H,4,6,8-11,13,15H2,1H3/t21-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIYGLRKUBPNXQS-FYYLOGMGSA-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
Clinical Information about the Compound