General Information of the Compound
| Compound ID |
CP0142405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-N,N-dimethyl-2-oxoacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H42Cl2N6O3
|
||||||||||||||||||
| Molecular Weight |
713.71
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCOCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H42Cl2N6O3/c1-44(2)38(48)39(49)46-19-16-36-34(27-46)37(43-47(36)18-3-17-45-20-22-50-23-21-45)32-12-15-35(41)31(24-32)11-8-28-4-6-29(7-5-28)25-42-26-30-9-13-33(40)14-10-30/h4-7,9-10,12-15,24,42H,3,16-23,25-27H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XDHDZGUKYKDTIV-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