General Information of the Compound
| Compound ID |
CP0564556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618303, 33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31ClF4N4O3
|
||||||||||||||||||
| Molecular Weight |
619.059
|
||||||||||||||||||
| Canonical SMILES |
CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F)C(=O)Oc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31ClF4N4O3/c1-30(21-3-6-23(32)7-4-21)19-40(18-26(30)38(2)29(42)43-25-10-8-24(33)9-11-25)28(41)20-13-15-39(16-14-20)27-12-5-22(17-37-27)31(34,35)36/h3-12,17,20,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXGAHDYGIQKQTN-VIZCGCQYSA-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