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canSAR1066967
FEATURES
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NAMES
    SMILES
    C[C@H](CCCN1C=NN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)C1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCCC[C@H]1C[C@H]3O
    InChI
    InChI=1S/C37H54F2N6O2/c1-25(28-11-12-30-34-31(13-15-36(28,30)3)35(2)14-5-4-8-26(35)17-33(34)46)7-6-16-43-23-42-45(24-43)20-37(47,19-44-22-40-21-41-44)29-10-9-27(38)18-32(29)39/h9-10,18,21-23,25-26,28,30-31,33-34,46-47H,4-8,11-17,19-20,24H2,1-3H3/t25-,26+,28-,30+,31+,33-,34+,35+,36-,37?/m1/s1
    MOLECULAR FORMULA
    C37H54F2N6O2
    CROSS REFERENCES
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    canSAR1066967

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 652.43
    AlogP 6.40
    HBond donors 2
    HBond acceptors 8
    Atoms 101
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1066967.