General Information of the Compound
| Compound ID |
CP0470745
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-(3SR,3aRS)-2-(4-Cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic Acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23N3O2
|
||||||||||||||||||
| Molecular Weight |
385.467
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23N3O2/c25-14-15-5-9-19(10-6-15)27-23(16-3-1-2-4-16)21-12-7-17-13-18(24(28)29)8-11-20(17)22(21)26-27/h5-6,8-11,13,16,21,23H,1-4,7,12H2,(H,28,29)/t21-,23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHNSKVYWFDVXHV-GMAHTHKFSA-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