General Information of the Compound
| Compound ID |
CP0006587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9777008, Compound 252
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N6O
|
||||||||||||||||||
| Molecular Weight |
496.659
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)n1cnc2ccc(cc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N6O/c1-34-13-10-26(11-14-34)36-21-33-28-7-6-23(16-29(28)36)24-8-12-31-30(17-24)32-18-27(37)20-35-15-9-22-4-2-3-5-25(22)19-35/h2-8,12,16-17,21,26-27,37H,9-11,13-15,18-20H2,1H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWULFRLGHKUVOJ-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