CAS ID: | 148451-96-1 |
Molecular Formula: | C22H18F6N2O3 |
Molecular Weight: | 472.4 g/mol |
Monoisotopic Mass: | 472.1222 g/mol |
Class: | Small Molecule |
Natural Product: | No |
Other Names: | L-732138 |
Analysis: | Drug repositioning mechanism analysis |
InChI: | InChI=1S/C22H18F6N2O3/c1-12(31)30-19(8-14-10-29-18-5-3-2-4-17(14)18)20(32)33-11-13-6-15(21(23,24)25)9-16(7-13)22(26,27)28/h2-7,9-10,19,29H,8,11H2,1H3,(H,30,31)/t19-/m0/s1 | See All |
InChI Key: | BYYQYXVAWXAYQC-IBGZPJMESA-N | |
Smiles: | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc3cc(cc(c3)C(F)(F)F)C(F)(F)F | See All |
Molfile: | Download |
Target ID | Name | Interaction |
---|---|---|
T0151 | Substance-P receptor | antagonist |
Reference Record 1
PubChem: | 132837 |
ChEMBL: | CHEMBL22870 |