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canSAR1443013
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NAMES
    SMILES
    CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc21.Cl.O
    InChI
    InChI=1S/C29H40N2O4.ClH.H2O/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24;;/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3;1H;1H2/t18-,21+,24-,25-;;/m1../s1
    MOLECULAR FORMULA
    C29H43ClN2O5
    CROSS REFERENCES
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    canSAR1443013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 534.29
    AlogP 4.54
    HBond donors 3
    HBond acceptors 7
    Atoms 80
    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 canSAR1443013.