General Information of the Compound
| Compound ID |
CP0500948
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346786, 106
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31F3N4O5
|
||||||||||||||||||
| Molecular Weight |
572.584
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(F)c(F)c1)C(=O)C1CCN(CC1)C(=O)[C@@H]1CC(=O)N1)C(=O)Oc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31F3N4O5/c1-2-36(29(40)41-20-6-4-19(30)5-7-20)25-16-35(15-21(25)18-3-8-22(31)23(32)13-18)27(38)17-9-11-34(12-10-17)28(39)24-14-26(37)33-24/h3-8,13,17,21,24-25H,2,9-12,14-16H2,1H3,(H,33,37)/t21-,24-,25+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUUFDWFDKHLPEO-GVXSCFBNSA-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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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