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canSAR782689
FEATURES
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NAMES
    SMILES
    Oc1ccc2c3c1O[C@H]1c4c(c5ccc(Cl)c6c5n4CCC6)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314
    InChI
    InChI=1S/C29H29ClN2O3/c30-20-7-6-17-19-13-29(34)22-12-16-5-8-21(33)26-23(16)28(29,9-11-31(22)14-15-3-4-15)27(35-26)25(19)32-10-1-2-18(20)24(17)32/h5-8,15,22,27,33-34H,1-4,9-14H2/t22-,27+,28+,29-/m1/s1
    MOLECULAR FORMULA
    C29H29ClN2O3
    CROSS REFERENCES
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    canSAR782689

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.19
    AlogP 4.65
    HBond donors 2
    HBond acceptors 5
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR782689.