General Information of the Compound
| Compound ID |
CP0406007
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (4aS,7aR)-4-hydroxy-4-[2-(3-methylphenyl)ethynyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23NO3
|
||||||||||||||||||
| Molecular Weight |
313.397
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N1CCC(O)(C#Cc2cccc(C)c2)[C@H]2CCC[C@@H]12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23NO3/c1-14-5-3-6-15(13-14)9-10-19(22)11-12-20(18(21)23-2)17-8-4-7-16(17)19/h3,5-6,13,16-17,22H,4,7-8,11-12H2,1-2H3/t16-,17+,19?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZYSQPHLQGQERK-PZEDNMLSSA-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