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canSAR1093357
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NAMES
    SMILES
    COC(=O)[C@H](Cc1ccc2c(c1)COP(=O)(O)O2)NC(=O)[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21
    InChI
    InChI=1S/C49H44N3O10P/c1-59-47(55)43(28-32-25-26-44-33(27-32)30-61-63(57,58)62-44)50-46(54)42(51-48(56)60-31-41-39-23-13-11-21-37(39)38-22-12-14-24-40(38)41)29-45(53)52-49(34-15-5-2-6-16-34,35-17-7-3-8-18-35)36-19-9-4-10-20-36/h2-27,41-43H,28-31H2,1H3,(H,50,54)(H,51,56)(H,52,53)(H,57,58)/t42-,43-/m0/s1
    MOLECULAR FORMULA
    C49H44N3O10P
    CROSS REFERENCES
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    canSAR1093357

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 865.28
    AlogP 7.30
    HBond donors 4
    HBond acceptors 13
    Atoms 107
    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 canSAR1093357.