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canSAR1615888
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)Nc2ccc3c(c2)OCO3)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
    InChI
    InChI=1S/C29H37N3O7S/c1-19-15-32(20(2)17-33)40(35,36)28-12-9-22(21-7-5-4-6-8-21)13-26(28)39-27(19)16-31(3)29(34)30-23-10-11-24-25(14-23)38-18-37-24/h7,9-14,19-20,27,33H,4-6,8,15-18H2,1-3H3,(H,30,34)/t19-,20+,27-/m1/s1
    MOLECULAR FORMULA
    C29H37N3O7S
    CROSS REFERENCES
    1615888 logo

    canSAR1615888

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 571.24
    AlogP 4.31
    HBond donors 2
    HBond acceptors 10
    Atoms 77
    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 canSAR1615888.