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canSAR783655
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NAMES
    SMILES
    O=C1C=C(NCCCNCCCNc2c3c(nc4ccccc24)CCCC3)C(=O)C=C1NCCCNCCCNc1c2c(nc3ccccc13)CCCC2
    InChI
    InChI=1S/C44H56N8O2/c53-41-30-40(48-26-10-22-46-24-12-28-50-44-33-15-3-7-19-37(33)52-38-20-8-4-16-34(38)44)42(54)29-39(41)47-25-9-21-45-23-11-27-49-43-31-13-1-5-17-35(31)51-36-18-6-2-14-32(36)43/h1,3,5,7,13,15,17,19,29-30,45-48H,2,4,6,8-12,14,16,18,20-28H2,(H,49,51)(H,50,52)
    MOLECULAR FORMULA
    C44H56N8O2
    CROSS REFERENCES
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    canSAR783655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 728.45
    AlogP 5.90
    HBond donors 6
    HBond acceptors 10
    Atoms 110
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR783655.