General Information of the Compound
| Compound ID |
CP0501545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000721672
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18ClN5O
|
||||||||||||||||||
| Molecular Weight |
343.818
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18ClN5O/c1-10(24)21-15-13-14(11-5-7-12(18)8-6-11)22-23(17(2,3)4)16(13)20-9-19-15/h5-9H,1-4H3,(H,19,20,21,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMPNGSZBNPNLCY-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