General Information of the Compound
| Compound ID |
CP0575713
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5070075
Show/Hide
|
||||||||||||||||||
| Formula |
C22H23ClN4O2
|
||||||||||||||||||
| Molecular Weight |
410.905
|
||||||||||||||||||
| Canonical SMILES |
O[C@H]1Cc2nnc([C@H]3CC[C@@H](CC3)Oc3ccccn3)n2-c2ccc(Cl)cc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClN4O2/c23-16-6-9-19-15(11-16)12-17(28)13-20-25-26-22(27(19)20)14-4-7-18(8-5-14)29-21-3-1-2-10-24-21/h1-3,6,9-11,14,17-18,28H,4-5,7-8,12-13H2/t14-,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKXUAADXAUNSRR-ZTFGCOKTSA-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