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canSAR988442
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NAMES
    SMILES
    COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@@H](C)NC(=O)C(F)(F)F)CC2.COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H](C)NC(=O)C(F)(F)F)CC2
    InChI
    InChI=1S/2C25H27F3N2O6S/c2*1-12(29-24(33)25(26,27)28)23(32)30-16-8-6-13-10-18(34-2)21(35-3)22(36-4)20(13)14-7-9-19(37-5)17(31)11-15(14)16/h2*7,9-12,16H,6,8H2,1-5H3,(H,29,33)(H,30,32)/t12-,16+;12-,16-/m10/s1
    MOLECULAR FORMULA
    C50H54F6N4O12S2
    CROSS REFERENCES
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    canSAR988442

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1080.31
    AlogP 7.26
    HBond donors 4
    HBond acceptors 16
    Atoms 128
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR988442.