General Information of the Compound
| Compound ID |
CP0553442
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2178392
Show/Hide
|
||||||||||||||||||
| Formula |
C19H22N4O3
|
||||||||||||||||||
| Molecular Weight |
354.41
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1nc(cnc1N)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22N4O3/c20-18-17(19(21)26)23-15(10-22-18)14-7-5-13(6-8-14)12-3-1-11(2-4-12)9-16(24)25/h5-8,10-12H,1-4,9H2,(H2,20,22)(H2,21,26)(H,24,25)/t11-,12-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YJXPILYYRNJCFH-HAQNSBGRSA-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