General Information of the Compound
| Compound ID |
CP0539533
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.188
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H41N5O2
|
||||||||||||||||||
| Molecular Weight |
503.691
|
||||||||||||||||||
| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2ccc(cn2)N2CCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41N5O2/c1-22(34-18-14-23(15-19-34)29(36)32-25-9-3-2-4-10-25)24-8-7-11-26(20-24)33-30(37)28-13-12-27(21-31-28)35-16-5-6-17-35/h7-8,11-13,20-23,25H,2-6,9-10,14-19H2,1H3,(H,32,36)(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CRVQMWXEIODKSL-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