General Information of the Compound
| Compound ID |
CP0489627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346786, 11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H30ClFN6O3
|
||||||||||||||||||
| Molecular Weight |
577.06
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@H]1CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1cnc(cn1)C#N)C(=O)Oc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H30ClFN6O3/c1-2-38(30(40)41-25-9-7-23(32)8-10-25)27-19-37(18-26(27)20-3-5-22(31)6-4-20)29(39)21-11-13-36(14-12-21)28-17-34-24(15-33)16-35-28/h3-10,16-17,21,26-27H,2,11-14,18-19H2,1H3/t26-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLFZTCZWZQUVRP-SXOMAYOGSA-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