General Information of the Compound
| Compound ID |
CP0013942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9777008, Compound 256
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35N7O2
|
||||||||||||||||||
| Molecular Weight |
525.657
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCC(CC1)n1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35N7O2/c1-21(38)36-13-9-26(10-14-36)37-15-8-24-17-33-29(34-30(24)37)23-6-11-31-28(16-23)32-18-27(39)20-35-12-7-22-4-2-3-5-25(22)19-35/h2-6,8,11,15-17,26-27,39H,7,9-10,12-14,18-20H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LYRBEXPFDJSZHV-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