General Information of the Compound
| Compound ID |
CP0524296
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8846929, 72
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H47N5O4
|
||||||||||||||||||
| Molecular Weight |
577.77
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CC2CN(CC2C1)C(=O)c1nc2ccccc2n(C2CCN(CC2)C2CCCCCCC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H47N5O4/c1-33(2,3)42-32(41)37-21-23-19-36(20-24(23)22-37)30(39)29-31(40)38(28-14-10-9-13-27(28)34-29)26-15-17-35(18-16-26)25-11-7-5-4-6-8-12-25/h9-10,13-14,23-26H,4-8,11-12,15-22H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGUGOHUJPKNGCB-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