General Information of the Compound
| Compound ID |
CP0393236
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-3-(1H-indol-3-yl)-2-(phenylcarbamoylamino)-N-[(1-phenylcyclopropyl)methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H28N4O2
|
||||||||||||||||||
| Molecular Weight |
452.558
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC1(CC1)c1ccccc1)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28N4O2/c33-26(30-19-28(15-16-28)21-9-3-1-4-10-21)25(32-27(34)31-22-11-5-2-6-12-22)17-20-18-29-24-14-8-7-13-23(20)24/h1-14,18,25,29H,15-17,19H2,(H,30,33)(H2,31,32,34)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YEUFFJBHCLNGAD-VWLOTQADSA-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: PT02015, fMet-Leu-Phe receptor
Protein ID: PT02590, N-formyl peptide receptor 2