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canSAR835824
FEATURES
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NAMES
    SMILES
    Cc1cc(=O)oc2c3c(ccc12)S[C@@H](C)[C@@H](OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C
    InChI
    InChI=1S/C34H38O10S/c1-16-15-20(35)40-23-18(16)9-10-19-21(23)24(42-28(39)34-14-12-32(8,26(37)44-34)30(34,5)6)22(17(2)45-19)41-27(38)33-13-11-31(7,25(36)43-33)29(33,3)4/h9-10,15,17,22,24H,11-14H2,1-8H3/t17-,22+,24-,31+,32+,33-,34-/m0/s1
    MOLECULAR FORMULA
    C34H38O10S
    CROSS REFERENCES
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    canSAR835824

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 638.22
    AlogP 5.34
    HBond donors 0
    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 canSAR835824.