General Information of the Compound
| Compound ID |
CP0957641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614213, 19.63
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21ClF4N4O
|
||||||||||||||||||
| Molecular Weight |
468.882
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CNc2n[nH]c3cccc(F)c23)CC1)c1cc(C(F)(F)F)ccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClF4N4O/c23-16-9-6-13(22(25,26)27)10-15(16)21(32)29-14-7-4-12(5-8-14)11-28-20-19-17(24)2-1-3-18(19)30-31-20/h1-3,6,9-10,12,14H,4-5,7-8,11H2,(H,29,32)(H2,28,30,31)/t12-,14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GRGKFMBHYZKZMN-MQMHXKEQSA-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