General Information of the Compound
| Compound ID |
CP0488522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3238236
Show/Hide
|
||||||||||||||||||
| Formula |
C35H45Cl2N3O5
|
||||||||||||||||||
| Molecular Weight |
658.667
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CC[C@@H](N1C(=O)C(=N[C@@]11CC[C@@H](CC1)C(C)(C)C)c1cc(Cl)cc(Cl)c1)c1ccc(cc1)C(=O)NC[C@H](O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H45Cl2N3O5/c1-33(2,3)14-13-27(21-7-9-22(10-8-21)30(42)38-20-28(41)32(44)45)40-31(43)29(23-17-25(36)19-26(37)18-23)39-35(40)15-11-24(12-16-35)34(4,5)6/h7-10,17-19,24,27-28,41H,11-16,20H2,1-6H3,(H,38,42)(H,44,45)/t24-,27-,28+,35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZWQVYGBPOVEEF-BTRMAUFGSA-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 | |||||||||||||||||||
| 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
Protein ID: PT01473, Glucagon receptor
Protein ID: PT01356, Glucagon-like peptide 1 receptor