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canSAR778738
FEATURES
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NAMES
    SMILES
    O=C(Nc1ccncn1)c1cc2c(OCC[C@@H]3CCCCN3)c(-c3ccc4c(c3)CCC4)c(O)nc2cc1Cl
    InChI
    InChI=1S/C30H30ClN5O3/c31-24-16-25-23(15-22(24)29(37)36-26-9-12-32-17-34-26)28(39-13-10-21-6-1-2-11-33-21)27(30(38)35-25)20-8-7-18-4-3-5-19(18)14-20/h7-9,12,14-17,21,33H,1-6,10-11,13H2,(H,35,38)(H,32,34,36,37)/t21-/m0/s1
    MOLECULAR FORMULA
    C30H30ClN5O3
    CROSS REFERENCES
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    canSAR778738

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 543.20
    AlogP 5.70
    HBond donors 3
    HBond acceptors 8
    Atoms 69
    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 canSAR778738.