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canSAR1065671
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NAMES
    SMILES
    CCCOc1ccc(C[C@H](CCc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
    InChI
    InChI=1S/C38H45NO4/c1-2-16-43-35-15-9-27(20-32(37(41)42)10-8-26-6-4-3-5-7-26)21-33(35)25-39-36(40)31-11-13-34(14-12-31)38-22-28-17-29(23-38)19-30(18-28)24-38/h3-7,9,11-15,21,28-30,32H,2,8,10,16-20,22-25H2,1H3,(H,39,40)(H,41,42)/t28?,29?,30?,32-,38?/m0/s1
    MOLECULAR FORMULA
    C38H45NO4
    CROSS REFERENCES
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    canSAR1065671

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.33
    AlogP 7.75
    HBond donors 2
    HBond acceptors 5
    Atoms 88
    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 canSAR1065671.