General Information of the Compound
| Compound ID |
CP0465192
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-methyl-4-[(5R)-5-(5-methylpyrimidin-2-yl)oxy-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N5O
|
||||||||||||||||||
| Molecular Weight |
331.379
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(O[C@@H]2Cc3c(cnn3C2)-c2ccc(cc2C)C#N)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N5O/c1-12-8-21-19(22-9-12)25-15-6-18-17(10-23-24(18)11-15)16-4-3-14(7-20)5-13(16)2/h3-5,8-10,15H,6,11H2,1-2H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRWLGOYLVCHHOA-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