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canSAR1864068
FEATURES
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NAMES
    SMILES
    CCCCC(CO)NC(=O)[C@@H]1N[C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C.O
    InChI
    InChI=1S/C29H40N4O4S.H2O/c1-4-5-16-22(19-34)31-27(37)25-29(2,3)38-28(33-25)24(26(36)30-18-21-14-10-7-11-15-21)32-23(35)17-20-12-8-6-9-13-20;/h6-15,22,24-25,28,33-34H,4-5,16-19H2,1-3H3,(H,30,36)(H,31,37)(H,32,35);1H2/t22?,24-,25+,28-;/m1./s1
    MOLECULAR FORMULA
    C29H42N4O5S
    CROSS REFERENCES
    1864068 logo

    canSAR1864068

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.29
    AlogP 1.68
    HBond donors 7
    HBond acceptors 9
    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 canSAR1864068.