General Information of the Compound
| Compound ID |
CP0449943
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346782, 5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21Cl2N3O
|
||||||||||||||||||
| Molecular Weight |
426.347
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(O)(c1cncn1C)c1ccc2nc(Cl)c(-c3ccccc3)c(Cl)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21Cl2N3O/c1-14(2)23(29,19-12-26-13-28(19)3)16-9-10-18-17(11-16)21(24)20(22(25)27-18)15-7-5-4-6-8-15/h4-14,29H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ISUSSPVKTRKAHO-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