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canSAR784218
FEATURES
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NAMES
    SMILES
    C=C1C[C@@]23C[C@@H]1CC[C@H]2[C@]1(C)CC[C@@H](OC(=O)c2ccc(SC)cc2)[C@](C)(COC(C)=O)[C@@H]1C[C@@H]3O
    InChI
    InChI=1S/C30H40O5S/c1-18-15-30-16-21(18)8-11-23(30)28(3)13-12-26(35-27(33)20-6-9-22(36-5)10-7-20)29(4,17-34-19(2)31)24(28)14-25(30)32/h6-7,9-10,21,23-26,32H,1,8,11-17H2,2-5H3/t21-,23-,24+,25-,26+,28-,29+,30+/m0/s1
    MOLECULAR FORMULA
    C30H40O5S
    CROSS REFERENCES
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    canSAR784218

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 512.26
    AlogP 6.05
    HBond donors 1
    HBond acceptors 5
    Atoms 76
    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 canSAR784218.