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canSAR830072
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(=O)c3ccccc3)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
    InChI
    InChI=1S/C52H53NO14/c1-29-35(64-48(61)40(56)39(31-18-10-6-11-19-31)53-45(58)32-20-12-7-13-21-32)27-52(62)44(66-47(60)34-24-16-9-17-25-34)42-50(5,36(55)26-37-51(42,28-63-37)67-30(2)54)43(57)41(38(29)49(52,3)4)65-46(59)33-22-14-8-15-23-33/h6-25,35-37,39-42,44,55-56,62H,26-28H2,1-5H3,(H,53,58)/t35-,36-,37+,39-,40+,41+,42-,44-,50+,51-,52+/m0/s1
    MOLECULAR FORMULA
    C52H53NO14
    CROSS REFERENCES
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    canSAR830072

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 915.35
    AlogP 5.03
    HBond donors 4
    HBond acceptors 15
    Atoms 120
    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 canSAR830072.