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canSAR781705
FEATURES
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NAMES
    SMILES
    CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](N(C)C)[C@H](OC)C3)[C@H](C)CCC1=O)[C@H](C)C[C@@H]2OC
    InChI
    InChI=1S/C45H74N2O10/c1-12-33-22-27(2)21-28(3)23-38(54-10)41-39(55-11)25-31(6)45(52,57-41)42(49)43(50)47-20-14-13-15-35(47)44(51)56-40(29(4)16-19-36(33)48)30(5)24-32-17-18-34(46(7)8)37(26-32)53-9/h22,24,28-29,31-35,37-41,52H,12-21,23,25-26H2,1-11H3/b27-22+,30-24+/t28-,29+,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+,45+/m0/s1
    MOLECULAR FORMULA
    C45H74N2O10
    CROSS REFERENCES
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    canSAR781705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 802.53
    AlogP 6.07
    HBond donors 1
    HBond acceptors 12
    Atoms 131
    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 canSAR781705.