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canSAR738225
FEATURES
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NAMES
    SMILES
    CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(OCCOCCOCCN(CCOCCOCCN)C(=O)CCCc7ccc8ccc9cccc%10ccc7c8c9%10)cc6)nc5c4)nc3c2)CC1
    InChI
    InChI=1S/C57H64N8O6/c1-63-23-25-64(26-24-63)46-16-21-50-52(39-46)62-57(60-50)45-15-20-49-51(38-45)61-56(59-49)44-12-17-47(18-13-44)71-37-36-70-35-34-69-31-28-65(27-30-68-33-32-67-29-22-58)53(66)7-3-4-40-8-9-43-11-10-41-5-2-6-42-14-19-48(40)55(43)54(41)42/h2,5-6,8-21,38-39H,3-4,7,22-37,58H2,1H3,(H,59,61)(H,60,62)
    MOLECULAR FORMULA
    C57H64N8O6
    CROSS REFERENCES
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    canSAR738225

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 956.49
    AlogP 8.68
    HBond donors 4
    HBond acceptors 14
    Atoms 135
    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 canSAR738225.