General Information of the Compound
| Compound ID |
CP0563779
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346786, 100
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H37ClFN3O4
|
||||||||||||||||||
| Molecular Weight |
570.105
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)C(=O)C1CC1(C)C)C(=O)Oc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H37ClFN3O4/c1-4-36(30(39)40-24-11-9-23(33)10-12-24)27-19-35(18-25(27)20-5-7-22(32)8-6-20)28(37)21-13-15-34(16-14-21)29(38)26-17-31(26,2)3/h5-12,21,25-27H,4,13-19H2,1-3H3/t25-,26?,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBYSJAMZTVYKIV-DRXLFZDCSA-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