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canSAR783499
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NC3CCCCC3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C45H83N3O13/c1-15-33-45(10,54)37(50)29(6)48(13)24-25(2)22-43(8,53)38(60-41-35(49)32(47(11)12)21-26(3)56-41)27(4)36(28(5)40(51)58-33)59-34-23-44(9,55-14)39(30(7)57-34)61-42(52)46-31-19-17-16-18-20-31/h25-39,41,49-50,53-54H,15-24H2,1-14H3,(H,46,52)/t25-,26-,27+,28-,29-,30+,32+,33-,34+,35-,36+,37-,38-,39+,41+,43+,44-,45-/m1/s1
    MOLECULAR FORMULA
    C45H83N3O13
    CROSS REFERENCES
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    canSAR783499

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 873.59
    AlogP 3.97
    HBond donors 5
    HBond acceptors 16
    Atoms 144
    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 canSAR783499.