Smiles:
C[NH2+]C1CCC(CC1)N(C(=O)c1sc2c(c1Cl)c(F)ccc2F)Cc1cccc(c1)c1ccncc1

Netcharge:
1

InChIKey:
RXZDWPYJFCAZCW-DBTUKWNYNA-O

InChI:

1/C28H26ClF2N3OS/c1-32-20-5-7-21(8-6-20)34(16-17-3-2-4-19(15-17)18-11-13-33-14-12-18)28(35)27-25(29)24-22(30)9-10-23(31)26(24)36-27/h2-4,9-15,20-21,32H,5-8,16H2,1H3/p+1/fC28H27ClF2N3OS/h32H/q+1

InChIcol:
1

More information (from its Standard Form):

SAG 1.5

Complex structures in which this molecule appears :

Complex Structure ID: 207

References in which this molecule is mentioned:

Kozielewicz P, Turku A, Bowin C-F, Petersen J, Valnohova J, Consuelo Alonso Cañizal M, Ono Y, Inoue A, Hoffmann C, Schulte G. 2020. Structural insight into small molecule action on Frizzleds. Nature communications 1 (11). doi: 10.1038/s41467-019-14149-3.

Download the SDF file