General Information of the Compound
| Compound ID |
CP0449072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[4,8-bis({8-azabicyclo[3.2.1]octan-8-yl})-6-[bis(2-hydroxyethyl)amino]pyrimido[5,4-d][1,3]diazin-2-yl](2-hydroxyethyl)amino}ethan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H44N8O4
|
||||||||||||||||||
| Molecular Weight |
556.712
|
||||||||||||||||||
| Canonical SMILES |
OCCN(CCO)c1nc(N2C3CCC2CCC3)c2nc(nc(N3C4CCC3CCC4)c2n1)N(CCO)CCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H44N8O4/c37-15-11-33(12-16-38)27-30-24-23(25(31-27)35-19-3-1-4-20(35)8-7-19)29-28(34(13-17-39)14-18-40)32-26(24)36-21-5-2-6-22(36)10-9-21/h19-22,37-40H,1-18H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NLUBMINUAZLCNX-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