General Information of the Compound
| Compound ID |
CP0490990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346786, 76
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H31ClF2N4O4
|
||||||||||||||||||
| Molecular Weight |
621.084
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)c1ccc(cc1)C#N)C(=O)Oc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H31ClF2N4O4/c1-2-40(33(43)44-26-10-8-25(35)9-11-26)30-20-39(19-27(30)24-7-12-28(34)29(36)17-24)32(42)23-13-15-38(16-14-23)31(41)22-5-3-21(18-37)4-6-22/h3-12,17,23,27,30H,2,13-16,19-20H2,1H3/t27-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GUTUUALLSAGRNN-BHBYDHKZSA-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