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canSAR565618
FEATURES
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NAMES
    SMILES
    C#CC[N@+]12CCC34c5ccccc5N5C6OCC=C7C[N@+]8(CC#C)CCC9%10c%11ccccc%11N(C%11OCC=C(C1)C(CC32)C%11C54)C9C6C7CC%108
    InChI
    InChI=1S/C44H46N4O2/c1-3-17-47-19-15-43-31-9-5-7-11-33(31)45-39(43)37-29(23-35(43)47)27(25-47)13-21-49-41(37)46-34-12-8-6-10-32(34)44-16-20-48(18-4-2)26-28-14-22-50-42(45)38(40(44)46)30(28)24-36(44)48/h1-2,5-14,29-30,35-42H,15-26H2/q+2/t29?,30?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,47-,48-/m0/s1
    MOLECULAR FORMULA
    C44H46N4O2+2
    CROSS REFERENCES
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    canSAR565618

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 662.36
    AlogP 4.56
    HBond donors 0
    HBond acceptors 6
    Atoms 96
    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 canSAR565618.