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canSAR1143856
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NAMES
    SMILES
    CC(C)COc1cccc2[nH]c(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c3nc4ccccc4s3)cc12
    InChI
    InChI=1S/C33H39N5O5S/c1-18(2)14-25(37-32(42)26-16-21-22(35-26)9-7-10-27(21)43-17-19(3)4)31(41)36-24(15-20-12-13-34-30(20)40)29(39)33-38-23-8-5-6-11-28(23)44-33/h5-11,16,18-20,24-25,35H,12-15,17H2,1-4H3,(H,34,40)(H,36,41)(H,37,42)/t20-,24-,25-/m0/s1
    MOLECULAR FORMULA
    C33H39N5O5S
    CROSS REFERENCES
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    canSAR1143856

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 617.27
    AlogP 4.85
    HBond donors 4
    HBond acceptors 10
    Atoms 83
    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 canSAR1143856.