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canSAR837116
FEATURES
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NAMES
    SMILES
    COCCN1C[C@H](O)[C@H](OCC23C[C@@H]4[C@H](C)CC[C@H]4C4(C=O)CC2C=C(C(C)C)[C@@]34C(=O)O)O[C@H](C)C1
    InChI
    InChI=1S/C29H45NO7/c1-17(2)23-10-20-11-27(15-31)22-7-6-18(3)21(22)12-28(20,29(23,27)26(33)34)16-36-25-24(32)14-30(8-9-35-5)13-19(4)37-25/h10,15,17-22,24-25,32H,6-9,11-14,16H2,1-5H3,(H,33,34)/t18-,19-,20?,21-,22-,24+,25-,27?,28?,29+/m1/s1
    MOLECULAR FORMULA
    C29H45NO7
    CROSS REFERENCES
    837116 logo

    canSAR837116

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 519.32
    AlogP 2.98
    HBond donors 2
    HBond acceptors 8
    Atoms 82
    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 canSAR837116.