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canSAR344948
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NAMES
    SMILES
    O=C1NCC(c2cccnc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
    InChI
    InChI=1S/C23H27N7O3/c31-21-18(6-5-16(14-26-21)15-3-1-9-24-13-15)27-22(32)29-11-7-17(8-12-29)30-19-4-2-10-25-20(19)28-23(30)33/h1-4,9-10,13,16-18H,5-8,11-12,14H2,(H,26,31)(H,27,32)(H,25,28,33)/t16?,18-/m1/s1
    MOLECULAR FORMULA
    C23H27N7O3
    CROSS REFERENCES
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    canSAR344948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 449.22
    AlogP 1.53
    HBond donors 3
    HBond acceptors 10
    Atoms 60
    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 canSAR344948.