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canSAR463893
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NAMES
    SMILES
    CC(C)c1ccc(Sc2cc3ncc(/C=C/[C@@H]4C[C@@H](O)CC(=O)O4)c(Sc4ccc(C(C)C)cc4)c3cc2Sc2ccc(C(C)C)cc2)cc1
    InChI
    InChI=1S/C43H45NO3S3/c1-26(2)29-8-15-35(16-9-29)48-40-23-38-39(24-41(40)49-36-17-10-30(11-18-36)27(3)4)44-25-32(7-14-34-21-33(45)22-42(46)47-34)43(38)50-37-19-12-31(13-20-37)28(5)6/h7-20,23-28,33-34,45H,21-22H2,1-6H3/b14-7+/t33-,34-/m1/s1
    MOLECULAR FORMULA
    C43H45NO3S3
    CROSS REFERENCES
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    canSAR463893

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 719.26
    AlogP 12.14
    HBond donors 1
    HBond acceptors 4
    Atoms 95
    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 canSAR463893.