General Information of the Compound
| Compound ID |
CP0535753
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(3-chloro-5-cyclopropylpyridin-2-yl)azetidin-3-yl]-3,4-dimethylcinnoline-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN5O
|
||||||||||||||||||
| Molecular Weight |
407.905
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc2ccc(cc2c1C)C(=O)NC1CN(C1)c1ncc(cc1Cl)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClN5O/c1-12-13(2)26-27-20-6-5-15(7-18(12)20)22(29)25-17-10-28(11-17)21-19(23)8-16(9-24-21)14-3-4-14/h5-9,14,17H,3-4,10-11H2,1-2H3,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PFPKNKIDFPUTBC-UHFFFAOYSA-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