General Information of the Compound
| Compound ID |
CP0396401
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1,3-dimethyl-2,6-dioxo-8-propoxypurin-7-yl)butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26N6O6
|
||||||||||||||||||
| Molecular Weight |
458.475
|
||||||||||||||||||
| Canonical SMILES |
CCCOc1nc2n(C)c(=O)n(C)c(=O)c2n1CCCC(=O)N\N=C\c1ccc(O)cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H26N6O6/c1-4-10-33-20-23-18-17(19(31)26(3)21(32)25(18)2)27(20)9-5-6-16(30)24-22-12-13-7-8-14(28)11-15(13)29/h7-8,11-12,28-29H,4-6,9-10H2,1-3H3,(H,24,30)/b22-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JHAONVQRICLGPP-WSDLNYQXSA-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