General Information of the Compound
| Compound ID |
CP0474201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[4-[[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl-methylamino]methyl]phenyl]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31NO2
|
||||||||||||||||||
| Molecular Weight |
389.539
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(c1)-c1ccc(CN(C)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31NO2/c1-26(2)23-13-12-22(24(26)15-23)17-27(3)16-18-8-10-19(11-9-18)20-6-5-7-21(14-20)25(28)29-4/h5-12,14,23-24H,13,15-17H2,1-4H3/t23-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PEFGBFJQNYBVEP-ZEQRLZLVSA-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