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canSAR834348
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NAMES
    SMILES
    Oc1nncn1-c1ccc(N2CCN(c3ccc(OC[C@@H]4COC(Cn5ccnc5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1
    InChI
    InChI=1S/C32H31Cl2N7O4/c33-23-1-10-29(30(34)17-23)32(20-38-12-11-35-21-38)44-19-28(45-32)18-43-27-8-6-25(7-9-27)40-15-13-39(14-16-40)24-2-4-26(5-3-24)41-22-36-37-31(41)42/h1-12,17,21-22,28H,13-16,18-20H2,(H,37,42)/t28-,32?/m1/s1
    MOLECULAR FORMULA
    C32H31Cl2N7O4
    CROSS REFERENCES
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    canSAR834348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 647.18
    AlogP 5.15
    HBond donors 1
    HBond acceptors 11
    Atoms 76
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR834348.