General Information of the Compound
| Compound ID |
CP0478453
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1'-[5-[(2R)-1-benzylpyrrolidin-2-yl]pent-4-enyl]spiro[1,2-dihydroisoindole-3,4'-piperidine]
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H37N3
|
||||||||||||||||||
| Molecular Weight |
415.625
|
||||||||||||||||||
| Canonical SMILES |
C(CC=C[C@H]1CCCN1Cc1ccccc1)CN1CCC2(CC1)NCc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H37N3/c1-3-10-24(11-4-1)23-31-19-9-14-26(31)13-5-2-8-18-30-20-16-28(17-21-30)27-15-7-6-12-25(27)22-29-28/h1,3-7,10-13,15,26,29H,2,8-9,14,16-23H2/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LSDFJSYOCQOIOD-SANMLTNESA-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