General Information of the Compound
| Compound ID |
CP0375929
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H42N4O2
|
||||||||||||||||||
| Molecular Weight |
550.747
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H42N4O2/c1-22(2)26-16-11-17-27(23(3)4)32(26)38-34(41)39-35(5,20-25-21-36-30-18-9-8-15-29(25)30)33(40)37-31-19-10-13-24-12-6-7-14-28(24)31/h6-9,11-12,14-18,21-23,31,36H,10,13,19-20H2,1-5H3,(H,37,40)(H2,38,39,41)/t31?,35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCUIXRZIPCRVGV-NOUYKBLCSA-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: PT02814, Gastrin-releasing peptide receptor
Protein ID: PT02963, Neuromedin-B receptor