General Information of the Compound
| Compound ID |
CP0372027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL1209345
Show/Hide
|
||||||||||||||||||
| Formula |
C21H20F2N4S
|
||||||||||||||||||
| Molecular Weight |
398.482
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(cs4)-c4ccccn4)[C@H]3C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20F2N4S/c22-14-5-13(6-15(23)7-14)9-27-10-17-16(18(17)11-27)8-25-21-26-20(12-28-21)19-3-1-2-4-24-19/h1-7,12,16-18H,8-11H2,(H,25,26)/t16-,17+,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSSPIUDGJYCCFF-BCDXTJNWSA-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