General Information of the Compound
| Compound ID |
CP0334402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[6-(cyclohexen-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H27FN4O2
|
||||||||||||||||||
| Molecular Weight |
506.581
|
||||||||||||||||||
| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H27FN4O2/c32-25-14-21(18-9-10-18)13-20-11-12-36(31(38)28(20)25)27-8-4-7-22(24(27)16-37)29-23-15-26(19-5-2-1-3-6-19)35-30(23)34-17-33-29/h4-5,7-8,11-15,17-18,37H,1-3,6,9-10,16H2,(H,33,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMLIIERALLGDSL-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