General Information of the Compound
| Compound ID |
CP0970550
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1,1-dimethyl-2-morpholino-2-oxo-ethyl)cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C27H28F3N3O3
|
||||||||||||||||||
| Molecular Weight |
499.533
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(=O)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28F3N3O3/c1-27(2,26(35)33-7-9-36-10-8-33)32-25(34)17-11-16(12-17)22-20-13-19(29)14-21(30)24(20)31-23(22)15-3-5-18(28)6-4-15/h3-6,13-14,16-17,31H,7-12H2,1-2H3,(H,32,34)/t16-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBPYATMBUNLKSM-QAQDUYKDSA-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