General Information of the Compound
| Compound ID |
CP0472856
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4062309
Show/Hide
|
||||||||||||||||||
| Formula |
C24H36N6O
|
||||||||||||||||||
| Molecular Weight |
424.593
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Nc1nc(N[C@H]2CC[C@@H](CC2)NC(=O)C2CCCN(C)C2)c2ccccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H36N6O/c1-16(2)25-24-28-21-9-5-4-8-20(21)22(29-24)26-18-10-12-19(13-11-18)27-23(31)17-7-6-14-30(3)15-17/h4-5,8-9,16-19H,6-7,10-15H2,1-3H3,(H,27,31)(H2,25,26,28,29)/t17?,18-,19-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AZAPVPMFHPBOQQ-YIQCUVMYSA-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