General Information of the Compound
| Compound ID |
CP0416920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-1H-indol-2-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H33FN4O3
|
||||||||||||||||||
| Molecular Weight |
576.672
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)N1CCC(=CC1)c1cc2c(cccc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H33FN4O3/c1-38(2)35(43)39-14-11-22(12-15-39)31-19-27-25(5-3-7-30(27)37-31)26-6-4-8-32(28(26)20-41)40-16-13-23-17-24(21-9-10-21)18-29(36)33(23)34(40)42/h3-8,11,13,16-19,21,37,41H,9-10,12,14-15,20H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QYNYCCPVYPMVMD-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