General Information of the Compound
| Compound ID |
CP0384909
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-{[4,8-bis(azonan-1-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 |
C30H52N8O4
|
||||||||||||||||||
| Molecular Weight |
588.798
|
||||||||||||||||||
| Canonical SMILES |
OCCN(CCO)c1nc(N2CCCCCCCC2)c2nc(nc(N3CCCCCCCC3)c2n1)N(CCO)CCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H52N8O4/c39-21-17-37(18-22-40)29-32-26-25(27(33-29)35-13-9-5-1-2-6-10-14-35)31-30(38(19-23-41)20-24-42)34-28(26)36-15-11-7-3-4-8-12-16-36/h39-42H,1-24H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJLHXGREQMSOOT-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