General Information of the Compound
| Compound ID |
CP0300053
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501467, Example 38
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N4O
|
||||||||||||||||||
| Molecular Weight |
324.428
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)CCn1c2CCCc3n[nH]c(=O)c4cccc1c4c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N4O/c1-3-22(4-2)11-12-23-15-9-5-7-13-17(15)18-14(20-21-19(13)24)8-6-10-16(18)23/h5,7,9H,3-4,6,8,10-12H2,1-2H3,(H,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNRLVHMYIPKIQD-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