canSAR824801
FEATURES
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NAMES
    SMILES
    CC(=O)OCC(C)(C)n1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CCC3[C@]3(C[C@@H]6/C=C\CCCCN6[C@@H]43)C5)c21
    InChI
    InChI=1S/C42H54N4O3/c1-30(47)49-29-40(2,3)46-36-18-12-11-17-32(36)33-19-22-43-37(38(33)46)34-27-42(48)21-13-7-4-5-8-14-23-44-25-20-35(34)41(28-44)26-31-16-10-6-9-15-24-45(31)39(41)42/h4,7,10-12,16-19,22,27,31,35,39,48H,5-6,8-9,13-15,20-21,23-26,28-29H2,1-3H3/b7-4-,16-10-/t31-,35?,39+,41-,42-/m0/s1
    MOLECULAR FORMULA
    C42H54N4O3
    CROSS REFERENCES
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    canSAR824801
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight662.42
    AlogP7.63
    HBond donors1
    HBond acceptors7
    Atoms103
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR824801.