General Information of the Compound
| Compound ID |
CP0399988
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-({6-[(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}amino)ethan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32N8O2
|
||||||||||||||||||
| Molecular Weight |
416.53
|
||||||||||||||||||
| Canonical SMILES |
OCCNc1nc(N2CCCCC2)c2nc(NCCO)nc(N3CCCCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32N8O2/c29-13-7-21-19-24-16-15(17(25-19)27-9-3-1-4-10-27)23-20(22-8-14-30)26-18(16)28-11-5-2-6-12-28/h29-30H,1-14H2,(H,21,24,25)(H,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNNHNKCEAAYNQD-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