General Information of the Compound
| Compound ID |
CP0252079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000529919
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17N3O2
|
||||||||||||||||||
| Molecular Weight |
319.364
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1nnc(o1)-c1ccc2CCCCc2c1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17N3O2/c23-17(14-7-2-1-3-8-14)20-19-22-21-18(24-19)16-11-10-13-6-4-5-9-15(13)12-16/h1-3,7-8,10-12H,4-6,9H2,(H,20,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SQSRYUZEGSGIEL-UHFFFAOYSA-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: PT06356, Adenylate cyclase type 1
Protein ID: PT06357, Adenylate cyclase type 8
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic