General Information of the Compound
| Compound ID |
CP0251197
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[1-[2-(3,4-dichlorophenyl)ethyl]azetidin-3-yl]oxy-3-methylpyrazol-1-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C29H35Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
556.538
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(OC2CN(CCc3ccc(Cl)c(Cl)c3)C2)n(n1)-c1cccc(c1)C(=O)NCCCN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35Cl2N5O2/c1-21-16-28(38-25-19-35(20-25)15-10-22-8-9-26(30)27(31)17-22)36(33-21)24-7-4-6-23(18-24)29(37)32-11-5-14-34-12-2-3-13-34/h4,6-9,16-18,25H,2-3,5,10-15,19-20H2,1H3,(H,32,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSIFNZAFHOMNED-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 | |||||||||||||||||||
| 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