General Information of the Compound
| Compound ID |
CP0970548
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C24H21F3N4O
|
||||||||||||||||||
| Molecular Weight |
438.453
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21F3N4O/c1-31-12-13(11-29-31)10-28-24(32)16-6-15(7-16)21-19-8-18(26)9-20(27)23(19)30-22(21)14-2-4-17(25)5-3-14/h2-5,8-9,11-12,15-16,30H,6-7,10H2,1H3,(H,28,32)/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIDQBOZPFXFSBK-WKILWMFISA-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