General Information of the Compound
| Compound ID |
CP0569290
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(2R)-3-(4-cyanophenyl)-1-(3,3-dimethyl-2H-indol-1-yl)-1-oxopropan-2-yl]-3-(4-fluorophenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25FN4O2
|
||||||||||||||||||
| Molecular Weight |
456.521
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CN(C(=O)[C@@H](Cc2ccc(cc2)C#N)NC(=O)Nc2ccc(F)cc2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25FN4O2/c1-27(2)17-32(24-6-4-3-5-22(24)27)25(33)23(15-18-7-9-19(16-29)10-8-18)31-26(34)30-21-13-11-20(28)12-14-21/h3-14,23H,15,17H2,1-2H3,(H2,30,31,34)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYUWZRSPJCQRMB-HSZRJFAPSA-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 | |||||||||||||||||||
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