canSAR1810115
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)n1c2cnccc2c2cnc(Nc3ccc(N4CC[C@@H](O)C4)nn3)nc21
    InChI
    InChI=1S/C20H22N8O2/c1-12(11-29)28-16-9-21-6-4-14(16)15-8-22-20(24-19(15)28)23-17-2-3-18(26-25-17)27-7-5-13(30)10-27/h2-4,6,8-9,12-13,29-30H,5,7,10-11H2,1H3,(H,22,23,24,25)/t12-,13+/m0/s1
    MOLECULAR FORMULA
    C20H22N8O2
    CROSS REFERENCES
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    canSAR1810115
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight406.19
    AlogP1.64
    HBond donors3
    HBond acceptors10
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1810115.