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canSAR1153429
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)c(Cl)c(OC)c1O
    InChI
    InChI=1S/C29H31ClO13/c1-10-37-8-18-26(41-10)23(32)24(33)29(42-18)43-25-12-5-16-15(39-9-40-16)4-11(12)19(20-14(25)7-38-28(20)34)13-6-17(35-2)22(31)27(36-3)21(13)30/h4-6,10,14,18-20,23-26,29,31-33H,7-9H2,1-3H3/t10-,14+,18-,19+,20+,23-,24-,25-,26-,29+/m1/s1
    MOLECULAR FORMULA
    C29H31ClO13
    CROSS REFERENCES
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    canSAR1153429

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 622.15
    AlogP 1.99
    HBond donors 3
    HBond acceptors 13
    Atoms 74
    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 canSAR1153429.