General Information of the Compound
| Compound ID |
CP0007954
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,4S)-2-methyl-5-(4-phenylphenyl)-2,5-diazabicyclo[2.2.1]heptane
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H20N2
|
||||||||||||||||||
| Molecular Weight |
264.372
|
||||||||||||||||||
| Canonical SMILES |
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2/c1-19-12-18-11-17(19)13-20(18)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMQISQQBRMQIBQ-ROUUACIJSA-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