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6I6

Summary
Name:aficamten
Synonyms:~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide
Formula:C18 H19 N5 O2
Formal charge:0
Formula weight:337.376 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[(1~{R})-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1~{H}-inden-1-yl]-1-methyl-pyrazole-4-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H19N5O2/c1-3-16-21-17(22-25-16)12-4-6-14-11(8-12)5-7-15(14)20-18(24)13-9-19-23(2)10-13/h4,6,8-10,15H,3,5,7H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyInChI1.03IOVAZWDIRCRMTM-OAHLLOKOSA-N
SMILES_CANONICALCACTVS3.385CCc1onc(n1)c2ccc3[C@@H](CCc3c2)NC(=O)c4cnn(C)c4
SMILESCACTVS3.385CCc1onc(n1)c2ccc3[CH](CCc3c2)NC(=O)c4cnn(C)c4
SMILES_CANONICALOpenEye OEToolkits2.0.7CCc1nc(no1)c2ccc3c(c2)CC[C@H]3NC(=O)c4cnn(c4)C
SMILESOpenEye OEToolkits2.0.7CCc1nc(no1)c2ccc3c(c2)CCC3NC(=O)c4cnn(c4)C

227344

數據於2024-11-13公開中

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