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canSAR1115602
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NAMES
    SMILES
    COc1cc2c(Nc3nc4ccc(C(=O)Nc5c(C)cccc5Cl)cc4s3)ncnc2cc1OCCCN1CCCCC1
    InChI
    InChI=1S/C32H33ClN6O3S/c1-20-8-6-9-23(33)29(20)37-31(40)21-10-11-24-28(16-21)43-32(36-24)38-30-22-17-26(41-2)27(18-25(22)34-19-35-30)42-15-7-14-39-12-4-3-5-13-39/h6,8-11,16-19H,3-5,7,12-15H2,1-2H3,(H,37,40)(H,34,35,36,38)
    MOLECULAR FORMULA
    C32H33ClN6O3S
    CROSS REFERENCES
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    canSAR1115602

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.20
    AlogP 7.46
    HBond donors 2
    HBond acceptors 9
    Atoms 76
    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 canSAR1115602.