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canSAR1435406
FEATURES
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NAMES
    SMILES
    CCn1cnc2c(Nc3ccc(P(=O)(O)CP(=O)(O)O)cc3)nc(CCC3CCNCC3)nc21
    InChI
    InChI=1S/C21H30N6O5P2/c1-2-27-13-23-19-20(25-18(26-21(19)27)8-3-15-9-11-22-12-10-15)24-16-4-6-17(7-5-16)33(28,29)14-34(30,31)32/h4-7,13,15,22H,2-3,8-12,14H2,1H3,(H,28,29)(H,24,25,26)(H2,30,31,32)
    MOLECULAR FORMULA
    C21H30N6O5P2
    CROSS REFERENCES
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    canSAR1435406

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 508.18
    AlogP 2.55
    HBond donors 5
    HBond acceptors 11
    Atoms 64
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1435406.