General Information of the Compound
| Compound ID |
CP0386752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-cyclopropyl-2-[3-[6-[4-[(dimethylamino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-8-fluoroisoquinolin-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H30FN5O2
|
||||||||||||||||||
| Molecular Weight |
559.645
|
||||||||||||||||||
| Canonical SMILES |
CN(C)Cc1ccc(cc1)-c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H30FN5O2/c1-39(2)17-20-6-8-22(9-7-20)29-16-26-32(36-19-37-33(26)38-29)25-4-3-5-30(27(25)18-41)40-13-12-23-14-24(21-10-11-21)15-28(35)31(23)34(40)42/h3-9,12-16,19,21,41H,10-11,17-18H2,1-2H3,(H,36,37,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MLSPTYFHHLAAEP-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