General Information of the Compound
| Compound ID |
CP0439277
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1R,2R)-2-(Aminomethyl)-1-(2-thienyl)cyclopropanecarbonyl] isoindoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18N2OS
|
||||||||||||||||||
| Molecular Weight |
298.411
|
||||||||||||||||||
| Canonical SMILES |
NC[C@@H]1C[C@@]1(C(=O)N1Cc2ccccc2C1)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18N2OS/c18-9-14-8-17(14,15-6-3-7-21-15)16(20)19-10-12-4-1-2-5-13(12)11-19/h1-7,14H,8-11,18H2/t14-,17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASCGGWXVCATSKL-YOEHRIQHSA-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
Protein ID: PT01487, Sodium-dependent dopamine transporter
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Protein ID: PT00891, Sodium-dependent serotonin transporter
Protein ID: PT00034, Transporter