General Information of the Compound
| Compound ID |
CP0483232
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9434725, 209
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N9
|
||||||||||||||||||
| Molecular Weight |
401.478
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(cnc1N)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCC[C@H](N)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N9/c1-13-21(23)25-11-17(27-13)16-8-18-14(9-24-16)10-26-30(18)20-6-2-5-19(28-20)29-7-3-4-15(22)12-29/h2,5-6,8-11,15H,3-4,7,12,22H2,1H3,(H2,23,25)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONYFRVQMWFWRSZ-HNNXBMFYSA-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