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canSAR782799
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](OCCO[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
    InChI
    InChI=1S/C50H78O15/c1-11-27(2)45-30(5)17-18-49(65-45)25-36-22-35(64-49)16-15-29(4)44(28(3)13-12-14-34-26-59-47-42(51)31(6)21-37(48(53)62-36)50(34,47)54)58-20-19-57-40-24-39(56-10)46(33(8)61-40)63-41-23-38(55-9)43(52)32(7)60-41/h12-15,21,27-28,30,32-33,35-47,51-52,54H,11,16-20,22-26H2,1-10H3/b13-12+,29-15+,34-14+/t27-,28-,30-,32-,33-,35+,36-,37-,38-,39-,40+,41-,42+,43-,44-,45+,46-,47+,49+,50+/m0/s1
    MOLECULAR FORMULA
    C50H78O15
    CROSS REFERENCES
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    canSAR782799

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 918.53
    AlogP 5.62
    HBond donors 3
    HBond acceptors 15
    Atoms 143
    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 canSAR782799.