General Information of the Compound
| Compound ID |
CP0456109
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2403860
Show/Hide
|
||||||||||||||||||
| Formula |
C27H31ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
506.012
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)c1nc2cc(Cl)ccc2n1[C@@H]1CC[C@@H](CC1)NCC1Cc2ccc(cc2C1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31ClF3N3O/c1-26(2,35)25-33-23-14-20(28)5-10-24(23)34(25)22-8-6-21(7-9-22)32-15-16-11-17-3-4-19(27(29,30)31)13-18(17)12-16/h3-5,10,13-14,16,21-22,32,35H,6-9,11-12,15H2,1-2H3/t16?,21-,22+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HGTXQPAMHYVMBW-WKRVNPTQSA-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 | |||||||||||||||||||
| 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