General Information of the Compound
| Compound ID |
CP0415346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-(4-(methoxyimino)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl)(2'-methylbiphenyl-4-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N4O3
|
||||||||||||||||||
| Molecular Weight |
390.443
|
||||||||||||||||||
| Canonical SMILES |
CO\N=C1\C[C@@H](N(C1)C(=O)c1ccc(cc1)-c1ccccc1C)c1nc(C)no1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N4O3/c1-14-6-4-5-7-19(14)16-8-10-17(11-9-16)22(27)26-13-18(25-28-3)12-20(26)21-23-15(2)24-29-21/h4-11,20H,12-13H2,1-3H3/b25-18-/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFGOHCJFGDEHAX-SWYXWEQBSA-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor