General Information of the Compound
| Compound ID |
CP0521296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614213, 21.11
Show/Hide
|
||||||||||||||||||
| Formula |
C21H25ClF3N3O
|
||||||||||||||||||
| Molecular Weight |
427.898
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(C[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)c(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25ClF3N3O/c1-12-13(2)27-28(14(12)3)11-15-4-7-17(8-5-15)26-20(29)18-10-16(21(23,24)25)6-9-19(18)22/h6,9-10,15,17H,4-5,7-8,11H2,1-3H3,(H,26,29)/t15-,17-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CWCYNBYBTACELK-JCNLHEQBSA-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