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canSAR1860412
FEATURES
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NAMES
    SMILES
    CCCC(C)NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc(NCC)cc(N2CCCCS2(=O)=O)c1
    InChI
    InChI=1S/C28H42N4O4S/c1-4-11-21(3)30-20-27(33)26(16-22-12-7-6-8-13-22)31-28(34)23-17-24(29-5-2)19-25(18-23)32-14-9-10-15-37(32,35)36/h6-8,12-13,17-19,21,26-27,29-30,33H,4-5,9-11,14-16,20H2,1-3H3,(H,31,34)
    MOLECULAR FORMULA
    C28H42N4O4S
    CROSS REFERENCES
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    canSAR1860412

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.29
    AlogP 3.53
    HBond donors 4
    HBond acceptors 8
    Atoms 79
    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 canSAR1860412.