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canSAR1017653
FEATURES
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NAMES
    SMILES
    Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2cn[nH]c12
    InChI
    InChI=1S/C29H30N6O3/c1-19-14-20(15-22-17-31-33-27(19)22)16-26(25-8-4-5-11-30-25)38-29(37)34-12-9-23(10-13-34)35-18-21-6-2-3-7-24(21)32-28(35)36/h2-8,11,14-15,17,23,26H,9-10,12-13,16,18H2,1H3,(H,31,33)(H,32,36)
    MOLECULAR FORMULA
    C29H30N6O3
    CROSS REFERENCES
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    canSAR1017653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.24
    AlogP 5.20
    HBond donors 2
    HBond acceptors 9
    Atoms 68
    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 canSAR1017653.