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W67

Summary
Name:6-(2-(5-(3-(DIMETHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)-4-METHYLPYRIDIN-2-AMINE
Formula:C18 H26 N4
Formal charge:0
Formula weight:298.426 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.7.66-[2-[5-[3-(dimethylamino)propyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H26N4/c1-14-9-17(21-18(19)10-14)7-6-16-11-15(12-20-13-16)5-4-8-22(2)3/h9-13H,4-8H2,1-3H3,(H2,19,21)
InChIKeyInChI1.03TUAXAWZDVAYXFN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1
SMILESCACTVS3.385CN(C)CCCc1cncc(CCc2cc(C)cc(N)n2)c1
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C
SMILESOpenEye OEToolkits1.7.6Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCN(C)C

226707

PDB entries from 2024-10-30

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