General Information of the Compound
| Compound ID |
CP0356714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2152416
Show/Hide
|
||||||||||||||||||
| Formula |
C18H23N5O
|
||||||||||||||||||
| Molecular Weight |
325.416
|
||||||||||||||||||
| Canonical SMILES |
C1CN(CCO1)[C@H]1CC[C@@H](CC1)n1cnc2cnc3[nH]ccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H23N5O/c1-3-14(4-2-13(1)22-7-9-24-10-8-22)23-12-21-16-11-20-18-15(17(16)23)5-6-19-18/h5-6,11-14H,1-4,7-10H2,(H,19,20)/t13-,14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SCIMUCMVZURYLT-HDJSIYSDSA-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