General Information of the Compound
| Compound ID |
CP0385853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-cyclopropyl-1-(2,4-dichlorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzo[g]indazole-3-carboxamide;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32Cl3N3O
|
||||||||||||||||||
| Molecular Weight |
568.976
|
||||||||||||||||||
| Canonical SMILES |
Cl.C[C@]12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1ccc1cc(ccc21)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31Cl2N3O.ClH/c1-30(2)20-12-13-31(3,16-20)29(30)34-28(37)26-23-10-7-19-14-18(17-4-5-17)6-9-22(19)27(23)36(35-26)25-11-8-21(32)15-24(25)33;/h6-11,14-15,17,20,29H,4-5,12-13,16H2,1-3H3,(H,34,37);1H/t20?,29?,31-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSKWIRCAHMRWBG-SMGHXYRUSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2