General Information of the Compound
| Compound ID |
CP0430683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyloxy-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]-1-yl-2-propanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29NO3
|
||||||||||||||||||
| Molecular Weight |
403.522
|
||||||||||||||||||
| Canonical SMILES |
OC(COCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29NO3/c28-22(18-29-17-20-6-2-1-3-7-20)16-27-14-12-26(13-15-27)25-11-10-21-8-4-5-9-23(21)24(25)19-30-26/h1-11,22,28H,12-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPVCARYMJPFDQI-UHFFFAOYSA-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