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canSAR835114
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NAMES
    SMILES
    CC(=O)Oc1cccc2c1[nH]c1c([C@@H]3C=C4CC/C=C\CCCCN5CC[C@H]3[C@]3(C5)C(C(C)=O)=C5/C=C\CCCCN5[C@H]43)nccc12
    InChI
    InChI=1S/C40H46N4O3/c1-26(45)35-33-16-10-6-8-12-22-44(33)39-28-14-9-5-3-4-7-11-21-43-23-19-32(40(35,39)25-43)31(24-28)37-38-30(18-20-41-37)29-15-13-17-34(36(29)42-38)47-27(2)46/h3,5,10,13,15-18,20,24,31-32,39,42H,4,6-9,11-12,14,19,21-23,25H2,1-2H3/b5-3-,16-10-/t31-,32-,39-,40-/m1/s1
    MOLECULAR FORMULA
    C40H46N4O3
    CROSS REFERENCES
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    canSAR835114

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.36
    AlogP 7.76
    HBond donors 1
    HBond acceptors 7
    Atoms 93
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR835114.