General Information of the Compound
| Compound ID |
CP0519671
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 2.019
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H32ClN3O2
|
||||||||||||||||||
| Molecular Weight |
502.058
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCc3ccccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H32ClN3O2/c31-25-13-11-23(12-14-25)29(35)32-26-8-3-5-21(19-26)20-34-17-15-24(16-18-34)30(36)33-28-10-4-7-22-6-1-2-9-27(22)28/h1-3,5-6,8-9,11-14,19,24,28H,4,7,10,15-18,20H2,(H,32,35)(H,33,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZAGPTLSBGGNZJU-UHFFFAOYSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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