General Information of the Compound
| Compound ID |
CP0377895
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(pyrrolidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H36N8O4
|
||||||||||||||||||
| Molecular Weight |
476.582
|
||||||||||||||||||
| Canonical SMILES |
OCCN(CCO)c1nc(N2CCCC2)c2nc(nc(N3CCCC3)c2n1)N(CCO)CCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H36N8O4/c31-13-9-29(10-14-32)21-24-18-17(19(25-21)27-5-1-2-6-27)23-22(30(11-15-33)12-16-34)26-20(18)28-7-3-4-8-28/h31-34H,1-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHBOIBAGPNJLIL-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