General Information of the Compound
| Compound ID |
CP0534438
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4861332
Show/Hide
|
||||||||||||||||||
| Formula |
C23H22ClF2N3O
|
||||||||||||||||||
| Molecular Weight |
429.898
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1[C@H]2C[C@@H](C[C@@H]12)n1cnc2cc(F)c(F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22ClF2N3O/c1-2-19(28-23(30)12-3-5-13(24)6-4-12)22-15-7-14(8-16(15)22)29-11-27-20-9-17(25)18(26)10-21(20)29/h3-6,9-11,14-16,19,22H,2,7-8H2,1H3,(H,28,30)/t14-,15-,16+,19-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJRNKUWABSYXJP-PZJWQNMWSA-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
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2