General Information of the Compound
| Compound ID |
CP0561087
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,5R)-5-[(4-benzylpiperazin-1-yl)methyl]-2,2-diphenylcyclopentan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N2O
|
||||||||||||||||||
| Molecular Weight |
426.604
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N2O/c32-28-25(23-31-20-18-30(19-21-31)22-24-10-4-1-5-11-24)16-17-29(28,26-12-6-2-7-13-26)27-14-8-3-9-15-27/h1-15,25,28,32H,16-23H2/t25-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZUVKMJOVZWFAQ-NAKRPHOHSA-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