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canSAR1062497
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NAMES
    SMILES
    CCO[C@@H]([C@H]1C[C@@H](C)[C@H]2[C@H](O1)[C@H](O)[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](OC(=O)NC5CN(C)C5)CC[C@@]45C[C@@]35CC[C@]21C)C(C)(C)O
    InChI
    InChI=1S/C37H62N2O6/c1-10-43-30(33(5,6)42)23-17-21(2)27-28(44-23)29(40)35(8)25-12-11-24-32(3,4)26(45-31(41)38-22-18-39(9)19-22)13-14-36(24)20-37(25,36)16-15-34(27,35)7/h21-30,40,42H,10-20H2,1-9H3,(H,38,41)/t21-,23-,24+,25+,26+,27+,28+,29+,30+,34-,35-,36-,37+/m1/s1
    MOLECULAR FORMULA
    C37H62N2O6
    CROSS REFERENCES
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    canSAR1062497

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.46
    AlogP 5.38
    HBond donors 3
    HBond acceptors 8
    Atoms 107
    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 canSAR1062497.