General Information of the Compound
| Compound ID |
CP0738191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-7-(2-{5-Methyl-2-[(1E)-5-methylhexen-1-yl]oxazol-4-yl}ethoxy)-2-(4-pentenoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tert-butylamine salt
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H47N3O5
|
||||||||||||||||||
| Molecular Weight |
553.744
|
||||||||||||||||||
| Canonical SMILES |
C=CCCC(=O)N1Cc2cc(OCCc3nc(/C=C/CCC(C)C)oc3C)ccc2C[C@H]1C(=O)O.CC(C)(C)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N2O5.C4H11N/c1-5-6-11-27(31)30-18-22-16-23(13-12-21(22)17-25(30)28(32)33)34-15-14-24-20(4)35-26(29-24)10-8-7-9-19(2)3;1-4(2,3)5/h5,8,10,12-13,16,19,25H,1,6-7,9,11,14-15,17-18H2,2-4H3,(H,32,33);5H2,1-3H3/b10-8+;/t25-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONNKUHCVHJWEJA-HHGXBXNCSA-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