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canSAR832973
FEATURES
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NAMES
    SMILES
    CO[C@@]12CC[C@@]3(C[C@@H]1CNC(=O)/C=C/c1ccccc1Cl)C1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5
    InChI
    InChI=1S/C30H33ClN2O4/c1-33-14-13-29-25-19-7-9-22(34)26(25)37-27(29)30(36-2)12-11-28(29,23(33)15-19)16-20(30)17-32-24(35)10-8-18-5-3-4-6-21(18)31/h3-10,20,23,27,34H,11-17H2,1-2H3,(H,32,35)/b10-8+/t20-,23?,27-,28-,29+,30+/m1/s1
    MOLECULAR FORMULA
    C30H33ClN2O4
    CROSS REFERENCES
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    canSAR832973

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 520.21
    AlogP 4.32
    HBond donors 2
    HBond acceptors 6
    Atoms 70
    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 canSAR832973.