General Information of the Compound
| Compound ID |
CP0573802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[2-[2-[2-[3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoylamino]ethylamino]-2-oxoethoxy]ethyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H53N7O7
|
||||||||||||||||||
| Molecular Weight |
659.829
|
||||||||||||||||||
| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CCC(=O)NCCNC(=O)COCCNC(=O)OC(C)(C)C)(CC1)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H53N7O7/c1-6-19-39-26-25(27(43)40(20-7-2)30(39)45)37-28(38-26)33-13-10-32(11-14-33,12-15-33)9-8-23(41)34-16-17-35-24(42)22-46-21-18-36-29(44)47-31(3,4)5/h6-22H2,1-5H3,(H,34,41)(H,35,42)(H,36,44)(H,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FAOXNZLZKSWJRO-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 | |||||||||||||||||||
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