smoothened agonist hydrochloride

CAS: 2095432-58-7

Formula: C28H29Cl2N3OS

SMILES: Cl.CN[C@H]1CC[C@@H](CC1)N(CC1=CC=CC(=C1)C1=CC=NC=C1)C(=O)C1=C(Cl)C2=CC=CC=C2S1

IUPAC: 3-chloro-N-{[3-(pyridin-4-yl)phenyl]methyl}-N-[(1r,4r)-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide hydrochloride

InChI: InChI=1/C28H28ClN3OS.ClH/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;1H/t22-,23-;

Composition: C (63.87%), H (5.55%), Cl (13.47%), N (7.98%), O (3.04%), S (6.09%)

Molar Mass: 526.52

Atom Count: 64

Heavy Atom Count: 35