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canSAR1141375
FEATURES
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NAMES
    SMILES
    CN1CCC(Nc2ccc3c(c2)/C(=C/c2cc4c([nH]2)CCN(C(=O)N2CCOCC2)C4)C(=O)N3)CC1
    InChI
    InChI=1S/C27H34N6O3/c1-31-7-4-19(5-8-31)28-20-2-3-25-22(15-20)23(26(34)30-25)16-21-14-18-17-33(9-6-24(18)29-21)27(35)32-10-12-36-13-11-32/h2-3,14-16,19,28-29H,4-13,17H2,1H3,(H,30,34)/b23-16-
    MOLECULAR FORMULA
    C27H34N6O3
    CROSS REFERENCES
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    canSAR1141375

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.27
    AlogP 2.82
    HBond donors 3
    HBond acceptors 9
    Atoms 70
    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 canSAR1141375.