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canSAR466374
FEATURES
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NAMES
    SMILES
    COc1cc(CN2C(=O)N(Cc3ccc(O)c(OC)c3)N(C(=O)CCCc3cccs3)C[C@@H](O)[C@H]2Cc2ccccc2)ccc1O
    InChI
    InChI=1S/C35H39N3O7S/c1-44-32-19-25(13-15-29(32)39)21-36-28(18-24-8-4-3-5-9-24)31(41)23-37(34(42)12-6-10-27-11-7-17-46-27)38(35(36)43)22-26-14-16-30(40)33(20-26)45-2/h3-5,7-9,11,13-17,19-20,28,31,39-41H,6,10,12,18,21-23H2,1-2H3/t28-,31-/m1/s1
    MOLECULAR FORMULA
    C35H39N3O7S
    CROSS REFERENCES
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    canSAR466374

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 645.25
    AlogP 5.35
    HBond donors 3
    HBond acceptors 10
    Atoms 85
    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 canSAR466374.