General Information of the Compound
| Compound ID |
CP0570137
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-3-(2-benzyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(1-ethyl-4-methylbenzotriazol-5-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N4O2
|
||||||||||||||||||
| Molecular Weight |
454.574
|
||||||||||||||||||
| Canonical SMILES |
CCn1nnc2c(C)c(ccc12)[C@@H](CC(O)=O)c1ccc2CCN(Cc3ccccc3)Cc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N4O2/c1-3-32-26-12-11-24(19(2)28(26)29-30-32)25(16-27(33)34)22-10-9-21-13-14-31(18-23(21)15-22)17-20-7-5-4-6-8-20/h4-12,15,25H,3,13-14,16-18H2,1-2H3,(H,33,34)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WRVAHMFKIZQSBW-VWLOTQADSA-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