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canSAR498733
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccc(OP(=O)(O)O)cc1)C(=O)N[C@@H](CCC(=O)O)c1nc(CC2CCCCC2)cs1
    InChI
    InChI=1S/C25H34N3O8PS/c1-16(29)26-22(14-18-7-9-20(10-8-18)36-37(33,34)35)24(32)28-21(11-12-23(30)31)25-27-19(15-38-25)13-17-5-3-2-4-6-17/h7-10,15,17,21-22H,2-6,11-14H2,1H3,(H,26,29)(H,28,32)(H,30,31)(H2,33,34,35)/t21-,22-/m0/s1
    MOLECULAR FORMULA
    C25H34N3O8PS
    CROSS REFERENCES
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    canSAR498733

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 567.18
    AlogP 3.51
    HBond donors 5
    HBond acceptors 11
    Atoms 72
    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 canSAR498733.