General Information of the Compound
| Compound ID |
CP0484991
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4756354
Show/Hide
|
||||||||||||||||||
| Formula |
C24H25ClN4O3
|
||||||||||||||||||
| Molecular Weight |
452.942
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)CC1Cc2cc(Cl)ccc2-n2c1nnc2[C@H]1CC[C@@H](CC1)Oc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25ClN4O3/c1-31-22(30)14-17-12-16-13-18(25)7-10-20(16)29-23(27-28-24(17)29)15-5-8-19(9-6-15)32-21-4-2-3-11-26-21/h2-4,7,10-11,13,15,17,19H,5-6,8-9,12,14H2,1H3/t15-,17?,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGKQLPQCUUZNKB-RZOPAKRVSA-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