General Information of the Compound
| Compound ID |
CP0452397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-[2-(5-chloro-1-quinolin-3-ylindole-2-carbonyl)pentyl]benzoyl]amino]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H30ClN3O4
|
||||||||||||||||||
| Molecular Weight |
568.073
|
||||||||||||||||||
| Canonical SMILES |
CCCC(Cc1ccc(cc1)C(=O)NCCC(O)=O)C(=O)c1cc2cc(Cl)ccc2n1-c1cnc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H30ClN3O4/c1-2-5-24(16-21-8-10-22(11-9-21)33(41)35-15-14-31(38)39)32(40)30-19-25-17-26(34)12-13-29(25)37(30)27-18-23-6-3-4-7-28(23)36-20-27/h3-4,6-13,17-20,24H,2,5,14-16H2,1H3,(H,35,41)(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKMDQEATKJYGTG-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