KML-010
KML-010
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SMILES:CN1CN=C(O)C12CCN(CCCC(=O)C1=CC=C(F)C=C1)CC2
InChI:InChI=1S/C18H24FN3O2/c1-21-13-20-17(24)18(21)8-11-22(12-9-18)10-2-3-16(23)14-4-6-15(19)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,20,24)
InChI key:GRADLHIYNHRBCW-UHFFFAOYSA-N
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SMILES:CN1CN=C(O)C12CCN(CCCC(=O)C1=CC=C(F)C=C1)CC2
InChI:InChI=1S/C18H24FN3O2/c1-21-13-20-17(24)18(21)8-11-22(12-9-18)10-2-3-16(23)14-4-6-15(19)7-5-14/h4-7H,2-3,8-13H2,1H3,(H,20,24)
InChI key:GRADLHIYNHRBCW-UHFFFAOYSA-N
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In the following we provide more advanced analysis about the interactions of a molecule with the human metabolism, docking sites etc.
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