Catalog Number:
AG009CKV
Chemical Name:
A-1155463
CAS Number:
1235034-55-5
Molecular Formula:
C35H32FN5O4S2
Molecular Weight:
669.7881
MDL Number:
MFCD29924714
IUPAC Name:
2-[8-(1,3-benzothiazol-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-[3-[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]propyl]-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C35H32FN5O4S2/c1-40(2)17-6-8-22-14-15-28(26(36)20-22)45-19-7-13-30-31(33(43)44)38-35(47-30)41-18-16-23-9-5-10-24(25(23)21-41)32(42)39-34-37-27-11-3-4-12-29(27)46-34/h3-5,9-12,14-15,20H,7,13,16-19,21H2,1-2H3,(H,43,44)(H,37,39,42)
InChI Key:
SOYCFODXNRVBTI-UHFFFAOYSA-N
SMILES:
CN(CC#Cc1ccc(c(c1)F)OCCCc1sc(nc1C(=O)O)N1CCc2c(C1)c(ccc2)C(=O)Nc1nc2c(s1)cccc2)C
