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canSAR1145669
FEATURES
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NAMES
    SMILES
    CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1CN(C(C)C)C(C)C)[C@H]1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C
    InChI
    InChI=1S/C40H69NO6/c1-13-32(38-28(10)22-40(15-3,47-38)34-20-21-39(45,14-2)30(12)46-34)37(44)29(11)35(42)26(8)16-18-31-19-17-27(9)36(43)33(31)23-41(24(4)5)25(6)7/h17,19,24-26,28-30,32,34-35,38,42-43,45H,13-16,18,20-23H2,1-12H3/t26-,28+,29+,30+,32+,34-,35+,38+,39-,40+/m1/s1
    MOLECULAR FORMULA
    C40H69NO6
    CROSS REFERENCES
    1145669 logo

    canSAR1145669

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 659.51
    AlogP 7.76
    HBond donors 3
    HBond acceptors 7
    Atoms 116
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145669.