General Information of the Compound
| Compound ID |
CP0953168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S)-2-oxopyrrolidin-3-yl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C23H20F3N3O2
|
||||||||||||||||||
| Molecular Weight |
427.426
|
||||||||||||||||||
| Canonical SMILES |
O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F3N3O2/c24-14-3-1-11(2-4-14)20-19(16-9-15(25)10-17(26)21(16)29-20)12-7-13(8-12)22(30)28-18-5-6-27-23(18)31/h1-4,9-10,12-13,18,29H,5-8H2,(H,27,31)(H,28,30)/t12-,13-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONKQWEKXLJXNFX-LXIYXOSZSA-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