General Information of the Compound
| Compound ID |
CP0071588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[2-(2,3,5,6-tetramethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N4O3
|
||||||||||||||||||
| Molecular Weight |
524.665
|
||||||||||||||||||
| Canonical SMILES |
CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc2c1)C(=O)c1c(C)c(C)cc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N4O3/c1-7-36-28-11-10-26(22(6)31(28)33-34-36)27(16-29(37)38)24-9-8-23-12-13-35(17-25(23)15-24)32(39)30-20(4)18(2)14-19(3)21(30)5/h8-11,14-15,27H,7,12-13,16-17H2,1-6H3,(H,37,38)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LOIDURPHCVSHLE-MHZLTWQESA-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