General Information of the Compound
| Compound ID |
CP0448857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2R)-2-[4-[1-(phenylcarbamoyl)indol-5-yl]benzoyl]cyclopentane-1-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H24N2O4
|
||||||||||||||||||
| Molecular Weight |
452.51
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc2n(ccc2c1)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H24N2O4/c31-26(23-7-4-8-24(23)27(32)33)19-11-9-18(10-12-19)20-13-14-25-21(17-20)15-16-30(25)28(34)29-22-5-2-1-3-6-22/h1-3,5-6,9-17,23-24H,4,7-8H2,(H,29,34)(H,32,33)/t23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YSQVVCXSUZWLNZ-DNQXCXABSA-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