General Information of the Compound
| Compound ID |
CP0561620
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346786, 66
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32ClF4N3O4
|
||||||||||||||||||
| Molecular Weight |
610.048
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)C(=O)C1CC(F)(F)C1)C(=O)Oc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32ClF4N3O4/c1-2-38(29(41)42-22-6-4-21(32)5-7-22)26-17-37(16-23(26)19-3-8-24(31)25(33)13-19)27(39)18-9-11-36(12-10-18)28(40)20-14-30(34,35)15-20/h3-8,13,18,20,23,26H,2,9-12,14-17H2,1H3/t23-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
URPBOSMTSXRMOE-JYFHCDHNSA-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