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canSAR990259
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1[C@@H](n2cnc3ccccc32)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](N5CCCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C33H47N3O2/c1-22(37)38-31-30(36-21-34-28-9-5-6-10-29(28)36)20-27-25-12-11-23-19-24(35-17-7-4-8-18-35)13-15-32(23,2)26(25)14-16-33(27,31)3/h5-6,9-10,21,23-27,30-31H,4,7-8,11-20H2,1-3H3/t23-,24-,25+,26-,27-,30-,31-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C33H47N3O2
    CROSS REFERENCES
    990259 logo

    canSAR990259

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.37
    AlogP 7.02
    HBond donors 0
    HBond acceptors 5
    Atoms 85
    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 canSAR990259.