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LSM-10952

PropertiesImage
MNX_IDMNXM528213 Image of MNXM528213
referencechebi:99573
formulaC26H22FN3O2
global charge0
mol weight427.479
InChIKeyFKHVKGICKJIMOZ-ISJGIBHGSA-N
InChIInChI=1S/C26H22FN3O2/c27-21-8-4-5-9-22(21)29-26(32)30-23(16-28)25(24(30)17-31)20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18/h1-15,23-25,31H,17H2,(H,29,32)/t23-,24+,25+/m0/s1
SMILESN#C[C@H]1[C@@H](C2=CC=C(C=CC3=CC=CC=C3)C=C2)[C@@H](CO)N1C(=O)NC1=CC=CC=C1F
MNX internals
InChI (mnx)InChI=1/C26H22FN3O2/c27-21-8-4-5-9-22(21)29-26(32)30-23(16-28)25(24(30)17-31)20-14-12-19(13-15-20)11-10-18-6-2-1-3-7-18/h1-15,23-25,31H,17H2,(H,29,32)/b11-10?/t23-,24+,25+/m0/s1 Image of MNXM528213
SMILES (mnx)[CH:1]1=[CH:2][CH:6]=[C:18]([CH:10]=[CH:11][C:19]2=[CH:13][CH:15]=[C:20]([C@@H:25]3[C@H:23]([C:16]#[N:28])[N:30]([C:26](=[N:29][C:22]4=[CH:9][CH:5]=[CH:4][CH:8]=[C:21]4[F:27])[OH:32])[C@@H:24]3[CH2:17][OH:31])[CH:14]=[CH:12]2)[CH:7]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:99573
chebi:99573
FKHVKGICKJIMOZ-ISJGIBHGSA-N 		LSM-10952