General Information of the Compound
| Compound ID |
CP0497624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434725, 155
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N9
|
||||||||||||||||||
| Molecular Weight |
399.462
|
||||||||||||||||||
| Canonical SMILES |
N#CCn1cc(cn1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N9/c22-5-9-29-15-17(14-25-29)18-11-19-16(12-24-18)13-26-30(19)21-4-1-3-20(27-21)28-8-2-6-23-7-10-28/h1,3-4,11-15,23H,2,6-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NDXJCTYWGYPGPM-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