General Information of the Compound
| Compound ID |
CP0419367
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 133
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17N3O2
|
||||||||||||||||||
| Molecular Weight |
307.353
|
||||||||||||||||||
| Canonical SMILES |
O=C1NN=C([C@@H]2C[C@H]12)[C@H]1CCc2nc(oc2C1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17N3O2/c22-17-13-9-12(13)16(20-21-17)11-6-7-14-15(8-11)23-18(19-14)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,21,22)/t11-,12+,13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SESDLRSMCXMCKI-XQQFMLRXSA-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