General Information of the Compound
| Compound ID |
CP0969235
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-N-(1-cyano-2-hydroxy-1-methyl-ethyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C23H20F3N3O2
|
||||||||||||||||||
| Molecular Weight |
427.426
|
||||||||||||||||||
| Canonical SMILES |
CC(C#N)(CO)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F3N3O2/c1-23(10-27,11-30)29-22(31)14-6-13(7-14)19-17-8-16(25)9-18(26)21(17)28-20(19)12-2-4-15(24)5-3-12/h2-5,8-9,13-14,28,30H,6-7,11H2,1H3,(H,29,31)/t13-,14-,23?
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHBCDZYCOMHXNS-WJKUNYMBSA-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