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canSAR833012
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NAMES
    SMILES
    CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@]2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CC[C@@H](C)CC1)OO2
    InChI
    InChI=1S/C35H57NO7/c1-7-36-30(38)11-8-23(3)26-9-10-27-31-28(14-15-33(26,27)6)32(5)18-19-35(21-25(32)20-29(31)39-24(4)37)42-40-34(41-43-35)16-12-22(2)13-17-34/h22-23,25-29,31H,7-21H2,1-6H3,(H,36,38)/t22-,23-,25-,26-,27+,28+,29-,31+,32+,33-,34-,35+/m1/s1
    MOLECULAR FORMULA
    C35H57NO7
    CROSS REFERENCES
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    canSAR833012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.41
    AlogP 7.25
    HBond donors 1
    HBond acceptors 8
    Atoms 100
    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 canSAR833012.