General Information of the Compound
| Compound ID |
CP0270172
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2152421
Show/Hide
|
||||||||||||||||||
| Formula |
C22H22N6
|
||||||||||||||||||
| Molecular Weight |
370.46
|
||||||||||||||||||
| Canonical SMILES |
N#Cc1cccc(CN[C@H]2CC[C@@H](CC2)n2cnc3cnc4[nH]ccc4c23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N6/c23-11-15-2-1-3-16(10-15)12-25-17-4-6-18(7-5-17)28-14-27-20-13-26-22-19(21(20)28)8-9-24-22/h1-3,8-10,13-14,17-18,25H,4-7,12H2,(H,24,26)/t17-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBUGVFGHVVEZAD-IYARVYRRSA-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