General Information of the Compound
| Compound ID |
CP0523677
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[6-[(3R,4S)-3-amino-4-(2,5-difluorophenyl)pyrrolidin-1-yl]pyridin-3-yl]-3-(3-phenylpropyl)pyrazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27F2N5O
|
||||||||||||||||||
| Molecular Weight |
487.554
|
||||||||||||||||||
| Canonical SMILES |
N[C@H]1CN(C[C@@H]1c1cc(F)ccc1F)c1ccc(cn1)-n1ccnc(CCCc2ccccc2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27F2N5O/c29-20-9-11-24(30)22(15-20)23-17-34(18-25(23)31)27-12-10-21(16-33-27)35-14-13-32-26(28(35)36)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-16,23,25H,4,7-8,17-18,31H2/t23-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RBJAAKXWHHDSML-NOZRDPDXSA-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