General Information of the Compound
| Compound ID |
CP0970413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-N-cyclopropyl-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C24H24F3N3O
|
||||||||||||||||||
| Molecular Weight |
427.47
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N3O/c25-16-3-1-14(2-4-16)23-22(19-9-17(26)10-20(27)24(19)30-23)15-7-13(8-15)11-28-12-21(31)29-18-5-6-18/h1-4,9-10,13,15,18,28,30H,5-8,11-12H2,(H,29,31)/t13-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPTBZEQXCVGVCC-CTYIDZIISA-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