Smiles:
C[NH2+][C@@H]1CC[C@H](CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1

Netcharge:
1

InChIKey:
VFSUUTYAEQOIMW-PBERKLQTNA-O

InChI:

1/C28H28ClN3OS/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20/h2-8,13-17,22-23,30H,9-12,18H2,1H3/p+1/t22-,23-/fC28H29ClN3OS/h30H/q+1

InChIcol:
1

More information (from its Standard Form):

Smothened agonist

References in which this molecule is mentioned:

Ainoleena Turku; Hannes Schihada; Pawel Kozielewicz; Carl-Fredrik Bowin; Gunnar Schulte. 2021. Residue 6.43 defines receptor function in class F GPCRs. Nature communications 12 (1). doi: 10.1038/s41467-021-24004-z.

Download the SDF file