General Information of the Compound
Compound ID |
CP0438258
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US8722896, (-)-(2R)-2-Ethyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C28H36ClN3O3
|
||||||||||||||||||
Molecular Weight |
498.067
|
||||||||||||||||||
Canonical SMILES |
CCC(CNCc1cccc2[nH]ccc12)C(=O)N(CC(C)C)Cc1cc(Cl)c2OCCCOc2c1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C28H36ClN3O3/c1-4-21(15-30-16-22-7-5-8-25-23(22)9-10-31-25)28(33)32(17-19(2)3)18-20-13-24(29)27-26(14-20)34-11-6-12-35-27/h5,7-10,13-14,19,21,30-31H,4,6,11-12,15-18H2,1-3H3
Show/Hide
|
||||||||||||||||||
InChIKey |
MWYOCQDTBRMGPL-UHFFFAOYSA-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
Protein ID: PT00629, Prokineticin receptor 1
Protein ID: PT00615, Prokineticin receptor 2