General Information of the Compound
| Compound ID |
CP0500959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434725, 139
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N7
|
||||||||||||||||||
| Molecular Weight |
439.567
|
||||||||||||||||||
| Canonical SMILES |
CCc1cncc(c1)-c1cc2n(ncc2cn1)-c1ccc(C2CC2)c(n1)N1CCC[C@H](N)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N7/c1-2-17-10-19(13-28-12-17)23-11-24-20(14-29-23)15-30-33(24)25-8-7-22(18-5-6-18)26(31-25)32-9-3-4-21(27)16-32/h7-8,10-15,18,21H,2-6,9,16,27H2,1H3/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQFQLFWVDMMENJ-NRFANRHFSA-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