General Information of the Compound
| Compound ID |
CP0546703
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4072189
Show/Hide
|
||||||||||||||||||
| Formula |
C29H35FN2O5
|
||||||||||||||||||
| Molecular Weight |
510.606
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(CN2CC3(C2)CC(=NO3)[C@H]2CC[C@@H](CC2)C(O)=O)cc(OCC)c1-c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35FN2O5/c1-3-35-25-13-19(14-26(36-4-2)27(25)21-9-11-23(30)12-10-21)16-32-17-29(18-32)15-24(31-37-29)20-5-7-22(8-6-20)28(33)34/h9-14,20,22H,3-8,15-18H2,1-2H3,(H,33,34)/t20-,22-
Show/Hide
|
||||||||||||||||||
| InChIKey |
APRZSOBLBFMURG-AQYVVDRMSA-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: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5