General Information of the Compound
| Compound ID |
CP0550048
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-chlorophenyl)-5-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methoxyphenyl]-4H-pyrrolo[3,4-c]pyrazol-6-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClN4O3
|
||||||||||||||||||
| Molecular Weight |
424.888
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1N1CC[C@@H](O)C1)N1Cc2cn(nc2C1=O)-c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClN4O3/c1-30-20-10-17(6-7-19(20)25-9-8-18(28)13-25)26-11-14-12-27(24-21(14)22(26)29)16-4-2-15(23)3-5-16/h2-7,10,12,18,28H,8-9,11,13H2,1H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LLUFFBMPFVKTQO-GOSISDBHSA-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