General Information of the Compound
| Compound ID |
CP0953026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-methyl-2-(methylamino)-2-oxo-ethyl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C23H22F3N3O2
|
||||||||||||||||||
| Molecular Weight |
429.442
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)C(C)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F3N3O2/c1-11(22(30)27-2)28-23(31)14-7-13(8-14)19-17-9-16(25)10-18(26)21(17)29-20(19)12-3-5-15(24)6-4-12/h3-6,9-11,13-14,29H,7-8H2,1-2H3,(H,27,30)(H,28,31)/t11?,13-,14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEVQOQOJKPDTLT-RCWADLFESA-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
|
||||||||||||||||||
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