General Information of the Compound
| Compound ID |
CP0396083
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)-N-[4-(4-hexylphenyl)-1,3-thiazol-2-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N5O3S
|
||||||||||||||||||
| Molecular Weight |
479.606
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCc1ccc(cc1)-c1csc(NC(=O)Cn2ccc3n(C)c(=O)n(C)c(=O)c23)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N5O3S/c1-4-5-6-7-8-17-9-11-18(12-10-17)19-16-34-24(26-19)27-21(31)15-30-14-13-20-22(30)23(32)29(3)25(33)28(20)2/h9-14,16H,4-8,15H2,1-3H3,(H,26,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AASDZFLETHTKKS-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