General Information of the Compound
| Compound ID |
CP0560164
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10336717, Compound 468
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19BrN4O2
|
||||||||||||||||||
| Molecular Weight |
403.28
|
||||||||||||||||||
| Canonical SMILES |
CN1OC2(N=C1N)c1cc(Br)ccc1CC21CCc2noc(C)c2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19BrN4O2/c1-10-13-9-17(6-5-15(13)22-24-10)8-11-3-4-12(19)7-14(11)18(17)21-16(20)23(2)25-18/h3-4,7H,5-6,8-9H2,1-2H3,(H2,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NONDATZVIXXJBM-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