General Information of the Compound
| Compound ID |
CP0379781
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(3S,3aS)-3-methoxy-5-oxo-3,3a,4,6-tetrahydropyrrolo[1,2-b]pyrazol-2-yl]-2-chloro-3-methylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14ClN3O2
|
||||||||||||||||||
| Molecular Weight |
303.749
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1[C@@H]2CC(=O)CN2N=C1c1ccc(C#N)c(Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14ClN3O2/c1-8-11(4-3-9(6-17)13(8)16)14-15(21-2)12-5-10(20)7-19(12)18-14/h3-4,12,15H,5,7H2,1-2H3/t12-,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKSXZUAAAVUSKY-WFASDCNBSA-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