General Information of the Compound
| Compound ID |
CP0231346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[6-(4-acetylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H25FN4O3
|
||||||||||||||||||
| Molecular Weight |
544.586
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H25FN4O3/c1-18(40)19-5-9-21(10-6-19)28-15-25-31(35-17-36-32(25)37-28)24-3-2-4-29(26(24)16-39)38-12-11-22-13-23(20-7-8-20)14-27(34)30(22)33(38)41/h2-6,9-15,17,20,39H,7-8,16H2,1H3,(H,35,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VEVJCCNECRPZOO-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