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canSAR1150077
FEATURES
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NAMES
    SMILES
    CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](OC(=O)c5ccc(Cl)cc5)C=CC(=O)[C@]6(CO)[C@H]4CC[C@@]32C)C1
    InChI
    InChI=1S/C35H41ClO8/c1-18-14-27(42-32(41)23(18)16-37)19(2)24-8-9-25-22-15-30-35(44-30)29(43-31(40)20-4-6-21(36)7-5-20)11-10-28(39)34(35,17-38)26(22)12-13-33(24,25)3/h4-7,10-11,19,22,24-27,29-30,37-38H,8-9,12-17H2,1-3H3/t19-,22-,24+,25-,26-,27+,29-,30+,33+,34-,35+/m0/s1
    MOLECULAR FORMULA
    C35H41ClO8
    CROSS REFERENCES
    1150077 logo

    canSAR1150077

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 624.25
    AlogP 4.84
    HBond donors 2
    HBond acceptors 8
    Atoms 85
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1150077.