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canSAR1018456
FEATURES
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NAMES
    SMILES
    CCCOCCn1c(=O)c(N2CCN([C@H](C)[C@@H](C)O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21
    InChI
    InChI=1S/C26H36N6O4/c1-5-13-36-14-12-32-23-15-21(20-6-7-24(35-4)28-16-20)27-17-22(23)29-25(26(32)34)31-10-8-30(9-11-31)18(2)19(3)33/h6-7,15-19,33H,5,8-14H2,1-4H3/t18-,19-/m1/s1
    MOLECULAR FORMULA
    C26H36N6O4
    CROSS REFERENCES
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    canSAR1018456

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.28
    AlogP 2.18
    HBond donors 1
    HBond acceptors 10
    Atoms 72
    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 canSAR1018456.