General Information of the Compound
| Compound ID |
CP0549221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]ethyl]benzoyl]amino]-2-methylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H29Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
602.518
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1C(C)c1ccc(cc1)C(=O)NCC(C)C(O)=O)-c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H29Cl2N3O4/c1-19(33(40)41)18-36-32(39)22-6-4-21(5-7-22)20(2)38-31(17-30(37-38)26-13-27(34)16-28(35)14-26)25-9-8-24-15-29(42-3)11-10-23(24)12-25/h4-17,19-20H,18H2,1-3H3,(H,36,39)(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWLIKEXVUDOUFJ-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