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GJ7

Summary
Name:2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
Formula:C26 H26 N4 O4
Formal charge:0
Formula weight:458.509 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(4-phenoxyphenoxy)-6-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide
OpenEye OEToolkits2.0.62-(4-phenoxyphenoxy)-6-[(1~{S},4~{S})-5-propanoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCC(=O)N1C2CC(C1)N(C2)c5ccc(C(N)=O)c(Oc4ccc(Oc3ccccc3)cc4)n5
InChIInChI1.03InChI=1S/C26H26N4O4/c1-2-24(31)30-16-17-14-18(30)15-29(17)23-13-12-22(25(27)32)26(28-23)34-21-10-8-20(9-11-21)33-19-6-4-3-5-7-19/h3-13,17-18H,2,14-16H2,1H3,(H2,27,32)/t17-,18-/m0/s1
InChIKeyInChI1.03DQFJRLJIIQKNPY-ROUUACIJSA-N
SMILES_CANONICALCACTVS3.385CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3
SMILESCACTVS3.385CCC(=O)N1C[CH]2C[CH]1CN2c3ccc(C(N)=O)c(Oc4ccc(Oc5ccccc5)cc4)n3
SMILES_CANONICALOpenEye OEToolkits2.0.6CCC(=O)N1C[C@@H]2C[C@H]1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N
SMILESOpenEye OEToolkits2.0.6CCC(=O)N1CC2CC1CN2c3ccc(c(n3)Oc4ccc(cc4)Oc5ccccc5)C(=O)N

222415

数据于2024-07-10公开中

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