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canSAR1133296
FEATURES
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NAMES
    SMILES
    O=C(NCCN1CCOCC1)Nc1sc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)NC1CC1
    InChI
    InChI=1S/C27H28Cl2N4O3S/c28-19-5-1-17(2-6-19)22-23(25(34)31-21-9-10-21)26(37-24(22)18-3-7-20(29)8-4-18)32-27(35)30-11-12-33-13-15-36-16-14-33/h1-8,21H,9-16H2,(H,31,34)(H2,30,32,35)
    MOLECULAR FORMULA
    C27H28Cl2N4O3S
    CROSS REFERENCES
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    canSAR1133296

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.13
    AlogP 5.73
    HBond donors 3
    HBond acceptors 7
    Atoms 65
    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 canSAR1133296.