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canSAR1638359
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NAMES
    SMILES
    Cl.O=C(NCCCOc1ccc2[nH]c3nc(O)nc-3cc2c1)N1CCN(N2CCC(Cc3ccccc3)CC2)CC1
    InChI
    InChI=1S/C30H37N7O3.ClH/c38-29-33-27-21-24-20-25(7-8-26(24)32-28(27)34-29)40-18-4-11-31-30(39)35-14-16-37(17-15-35)36-12-9-23(10-13-36)19-22-5-2-1-3-6-22;/h1-3,5-8,20-21,23H,4,9-19H2,(H,31,39)(H2,32,33,34,38);1H
    MOLECULAR FORMULA
    C30H38ClN7O3
    CROSS REFERENCES
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    canSAR1638359

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 579.27
    AlogP 4.16
    HBond donors 3
    HBond acceptors 10
    Atoms 79
    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 canSAR1638359.