General Information of the Compound
| Compound ID |
CP0402912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-(3,5-dimethoxyphenyl)pyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H27Cl2N3O5
|
||||||||||||||||||
| Molecular Weight |
580.468
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(c1)-c1cc(nn1C1CCc2cc(ccc12)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H27Cl2N3O5/c1-39-23-12-20(13-24(15-23)40-2)28-16-26(19-10-21(31)14-22(32)11-19)34-35(28)27-6-4-17-9-18(3-5-25(17)27)30(38)33-8-7-29(36)37/h3,5,9-16,27H,4,6-8H2,1-2H3,(H,33,38)(H,36,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSMZATREWQMJQH-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