Catalog Number:
AG003AU3
Chemical Name:
Tpx-0005
CAS Number:
1802220-02-5
Molecular Formula:
C18H18FN5O2
Molecular Weight:
355.3662
MDL Number:
MFCD31544350
IUPAC Name:
(3R,11S)-6-fluoro-3,11-dimethyl-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaen-14-one
InChI:
InChI=1S/C18H18FN5O2/c1-10-8-20-18(25)14-9-21-24-6-5-16(23-17(14)24)22-11(2)13-7-12(19)3-4-15(13)26-10/h3-7,9-11H,8H2,1-2H3,(H,20,25)(H,22,23)/t10-,11+/m0/s1
InChI Key:
FIKPXCOQUIZNHB-WDEREUQCSA-N
SMILES:
C[C@H]1CNC(=O)c2cnn3c2nc(N[C@@H](c2c(O1)ccc(c2)F)C)cc3
UNII:
08O3FQ4UNP
