General Information of the Compound
| Compound ID |
CP0519950
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[(5R)-3-(4-cyano-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-5-yl]oxy]pyrimidine-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14N6O
|
||||||||||||||||||
| Molecular Weight |
342.362
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(ccc1-c1cnn2C[C@@H](Cc12)Oc1ncc(cn1)C#N)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14N6O/c1-12-4-13(6-20)2-3-16(12)17-10-24-25-11-15(5-18(17)25)26-19-22-8-14(7-21)9-23-19/h2-4,8-10,15H,5,11H2,1H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CZYSZPKHECVEPV-OAHLLOKOSA-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial