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canSAR464522
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NAMES
    SMILES
    CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCC(=O)N(C)C1C[C@@H]3c1ccccc1
    InChI
    InChI=1S/C33H51NO/c1-22(2)11-10-12-23(3)26-15-16-27-31-25(24-13-8-7-9-14-24)21-29-33(5,20-18-30(35)34(29)6)28(31)17-19-32(26,27)4/h7-9,13-14,22-23,25-29,31H,10-12,15-21H2,1-6H3/t23?,25-,26-,27?,28?,29?,31?,32-,33-/m1/s1
    MOLECULAR FORMULA
    C33H51NO
    CROSS REFERENCES
    464522 logo

    canSAR464522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.40
    AlogP 8.32
    HBond donors 0
    HBond acceptors 2
    Atoms 86
    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 canSAR464522.