Catalog Number:
AG00ABMZ
Chemical Name:
Autotaxin modulator 1
CAS Number:
1548743-69-6
Molecular Formula:
C28H31F6NO3
Molecular Weight:
543.5411
MDL Number:
MFCD28900738
IUPAC Name:
8-[(1R)-1-[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethyl]-8-azabicyclo[3.2.1]octane-3-carboxylic acid
InChI:
InChI=1S/C28H31F6NO3/c1-15(35-20-7-8-21(35)13-18(12-20)26(36)37)17-3-2-16-4-11-24(25(23(16)14-17)28(32,33)34)38-22-9-5-19(6-10-22)27(29,30)31/h2-4,11,14-15,18-22H,5-10,12-13H2,1H3,(H,36,37)/t15-,18?,19?,20?,21?,22?/m1/s1
InChI Key:
PZASAAIJIFDWSB-WMHNCSEASA-N
SMILES:
OC(=O)C1CC2CCC(C1)N2[C@@H](c1ccc2c(c1)c(c(cc2)O[C@@H]1CC[C@@H](CC1)C(F)(F)F)C(F)(F)F)C
