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canSAR1143562
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NAMES
    SMILES
    CNC[C@H](Cc1ccc2ccccc2c1)NC[C@@H](Cc1ccc2ccccc2c1)NCC(C)c1ccc(CC(C)C)cc1
    InChI
    InChI=1S/C40H49N3/c1-29(2)21-31-13-17-34(18-14-31)30(3)26-42-40(25-33-16-20-36-10-6-8-12-38(36)23-33)28-43-39(27-41-4)24-32-15-19-35-9-5-7-11-37(35)22-32/h5-20,22-23,29-30,39-43H,21,24-28H2,1-4H3/t30?,39-,40+/m0/s1
    MOLECULAR FORMULA
    C40H49N3
    CROSS REFERENCES
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    canSAR1143562

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.39
    AlogP 7.92
    HBond donors 3
    HBond acceptors 3
    Atoms 92
    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 canSAR1143562.