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canSAR660530
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NAMES
    SMILES
    Cl.Cl.NC(N)=NCCCCC(=O)Nc1ccc(OCCCN=C(N)N)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1
    InChI
    InChI=1S/C29H36N8O4.2ClH/c30-28(31)34-16-5-4-9-26(38)37-25-15-14-23(40-18-6-17-35-29(32)33)19-24(25)27(39)36-20-10-12-22(13-11-20)41-21-7-2-1-3-8-21;;/h1-3,7-8,10-15,19H,4-6,9,16-18H2,(H,36,39)(H,37,38)(H4,30,31,34)(H4,32,33,35);2*1H
    MOLECULAR FORMULA
    C29H38Cl2N8O4
    CROSS REFERENCES
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    canSAR660530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 632.24
    AlogP 4.00
    HBond donors 10
    HBond acceptors 12
    Atoms 81
    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 canSAR660530.