General Information of the Compound
| Compound ID |
CP0494342
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(3S,3aS,4S)-3,4-dihydroxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-2-yl]-2-chloro-3-methylbenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H14ClN3O2
|
||||||||||||||||||
| Molecular Weight |
291.738
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(Cl)c(ccc1C1=NN2CC[C@H](O)[C@H]2[C@@H]1O)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H14ClN3O2/c1-7-9(3-2-8(6-16)11(7)15)12-14(20)13-10(19)4-5-18(13)17-12/h2-3,10,13-14,19-20H,4-5H2,1H3/t10-,13-,14+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRBSDTJJYLDXIG-LEWSCRJBSA-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