General Information of the Compound
| Compound ID |
CP0963978
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methylisoxazol-5-yl)methyl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C24H20F3N3O2
|
||||||||||||||||||
| Molecular Weight |
439.437
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)on1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20F3N3O2/c1-12-6-18(32-30-12)11-28-24(31)15-7-14(8-15)21-19-9-17(26)10-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-6,9-10,14-15,29H,7-8,11H2,1H3,(H,28,31)/t14-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WBGSIOCXANAWFX-SHTZXODSSA-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