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canSAR1012937
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(=O)N[C@@H](CCSC)C(N)=O
    InChI
    InChI=1S/C27H30N2O9S/c1-33-20-8-14(9-21(34-2)24(20)38-27(32)29-17(25(28)30)4-5-39-3)22-16-10-19-18(36-12-37-19)7-13(16)6-15-11-35-26(31)23(15)22/h7-10,15,17,22-23H,4-6,11-12H2,1-3H3,(H2,28,30)(H,29,32)/t15-,17-,22+,23-/m0/s1
    MOLECULAR FORMULA
    C27H30N2O9S
    CROSS REFERENCES
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    canSAR1012937

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 558.17
    AlogP 2.61
    HBond donors 3
    HBond acceptors 11
    Atoms 69
    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 canSAR1012937.