General Information of the Compound
| Compound ID |
CP0578595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10336717, Compound 109
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N5O2
|
||||||||||||||||||
| Molecular Weight |
379.464
|
||||||||||||||||||
| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cnccn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N5O2/c1-26-19(22)25-21(28-26)17-11-14(18-13-23-9-10-24-18)3-4-15(17)12-20(21)7-5-16(27-2)6-8-20/h3-4,9-11,13,16H,5-8,12H2,1-2H3,(H2,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
APYZHABPRFFPDY-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