General Information of the Compound
| Compound ID |
CP0390563
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(3S)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-thiophen-2-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24N2OS
|
||||||||||||||||||
| Molecular Weight |
376.525
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24N2OS/c1-17-7-9-18(10-8-17)15-25-12-11-21(16-25)24-23(26)20-5-2-4-19(14-20)22-6-3-13-27-22/h2-10,13-14,21H,11-12,15-16H2,1H3,(H,24,26)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UPEHPUZOPHDONV-NRFANRHFSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01161, D(4) dopamine receptor