General Information of the Compound
| Compound ID |
CP0911860
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{(S)-1-[4-(3-Dimethylamino-propoxy)-benzyl]-pyrrolidin-3-yl}-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31N3O2
|
||||||||||||||||||
| Molecular Weight |
381.52
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)c3ccccc3)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31N3O2/c1-25(2)14-6-16-28-22-11-9-19(10-12-22)17-26-15-13-21(18-26)24-23(27)20-7-4-3-5-8-20/h3-5,7-12,21H,6,13-18H2,1-2H3,(H,24,27)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZBVRSQZYXPXJA-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