General Information of the Compound
| Compound ID |
CP0488717
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10189835, Compound 434
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H18ClN5O3
|
||||||||||||||||||
| Molecular Weight |
363.805
|
||||||||||||||||||
| Canonical SMILES |
CON(C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18ClN5O3/c1-21(25-2)15(23)14-12-9-22(7-6-13(12)19-20-14)16(24)18-11-5-3-4-10(17)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,18,24)(H,19,20)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMTGYYNXZLMMIC-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 | |||||||||||||||||||
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