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canSAR917810
FEATURES
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NAMES
    SMILES
    C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@@H](CN1CCOCC1)OC)[C@@H]3OC
    InChI
    InChI=1S/C45H67NO12/c1-24-16-28-6-8-33-25(2)17-30(51-33)10-11-45-22-38-41(57-45)42-43(56-38)44(58-45)40-34(55-42)9-7-29(53-40)18-27(47)19-32-36(21-35(52-28)26(24)3)54-37(39(32)49-5)20-31(48-4)23-46-12-14-50-15-13-46/h24,28-44H,2-3,6-23H2,1,4-5H3/t24-,28+,29-,30+,31+,32+,33+,34+,35-,36+,37-,38-,39-,40+,41+,42+,43-,44+,45+/m1/s1
    MOLECULAR FORMULA
    C45H67NO12
    CROSS REFERENCES
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    canSAR917810

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 813.47
    AlogP 4.47
    HBond donors 0
    HBond acceptors 13
    Atoms 125
    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 canSAR917810.