General Information of the Compound
| Compound ID |
CP0382848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[1-[5-(4-chlorophenyl)-3-(3,5-dichlorophenyl)pyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H22Cl3N3O3
|
||||||||||||||||||
| Molecular Weight |
554.861
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCNC(=O)c1ccc2C(CCc2c1)n1nc(cc1-c1ccc(Cl)cc1)-c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H22Cl3N3O3/c29-20-5-1-16(2-6-20)26-15-24(19-12-21(30)14-22(31)13-19)33-34(26)25-8-4-17-11-18(3-7-23(17)25)28(37)32-10-9-27(35)36/h1-3,5-7,11-15,25H,4,8-10H2,(H,32,37)(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVHXXSXVEAQEAG-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