General Information of the Compound
| Compound ID |
CP0969581
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Formula |
C24H23F3N2O2
|
||||||||||||||||||
| Molecular Weight |
428.454
|
||||||||||||||||||
| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CC[C@H](CO)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23F3N2O2/c25-17-3-1-14(2-4-17)22-21(19-9-18(26)10-20(27)23(19)28-22)15-7-16(8-15)24(31)29-6-5-13(11-29)12-30/h1-4,9-10,13,15-16,28,30H,5-8,11-12H2/t13-,15-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXJIDOSPLSGTCJ-BPUTZDHNSA-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