General Information of the Compound
| Compound ID |
CP0438282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-4-[(1-amino-2-fluoroethylidene)amino]-1-(5-methoxy-1-methylbenzimidazol-2-yl)butyl]-3-oxo-1,2-dihydroisoindole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27FN6O3
|
||||||||||||||||||
| Molecular Weight |
466.517
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(C)c(nc2c1)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27FN6O3/c1-31-19-9-8-15(34-2)11-18(19)29-22(31)17(7-4-10-27-20(26)12-25)30-23(32)16-6-3-5-14-13-28-24(33)21(14)16/h3,5-6,8-9,11,17H,4,7,10,12-13H2,1-2H3,(H2,26,27)(H,28,33)(H,30,32)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KFIKEYZGNDJFAU-KRWDZBQOSA-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