canSAR1846879
FEATURES
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NAMES
    SMILES
    Cl.O=C(C[C@@H]1N[C@@]23CC[C@]1(O)[C@@H]1Oc4c(O)ccc5c4[C@]12CCN(CC1CC1)[C@@H]3C5)NCc1ccccc1
    InChI
    InChI=1S/C30H35N3O4.ClH/c34-21-9-8-20-14-23-30-11-10-29(36,22(32-30)15-24(35)31-16-18-4-2-1-3-5-18)27-28(30,25(20)26(21)37-27)12-13-33(23)17-19-6-7-19;/h1-5,8-9,19,22-23,27,32,34,36H,6-7,10-17H2,(H,31,35);1H/t22-,23+,27+,28+,29+,30+;/m0./s1
    MOLECULAR FORMULA
    C30H36ClN3O4
    CROSS REFERENCES
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    canSAR1846879
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight537.24
    AlogP2.80
    HBond donors4
    HBond acceptors7
    Atoms74
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846879.