General Information of the Compound
| Compound ID |
CP0540161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-pyrimidin-4-yl ester 4-(1,2,2-trimethyl-propyl) ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H21N3O4
|
||||||||||||||||||
| Molecular Weight |
331.372
|
||||||||||||||||||
| Canonical SMILES |
CC(OC(=O)c1c[nH]c(C(=O)Oc2ccncn2)c1C)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H21N3O4/c1-10-12(15(21)23-11(2)17(3,4)5)8-19-14(10)16(22)24-13-6-7-18-9-20-13/h6-9,11,19H,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVBKZGOYYUTLTF-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