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canSAR1126741
FEATURES
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NAMES
    SMILES
    CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)CCCCCNC(=O)CCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)cc3)nc2n(CCC)c1=O
    InChI
    InChI=1S/C45H61N9O8S/c1-5-29-53-43-41(44(58)54(30-6-2)45(53)59)50-42(51-43)32-21-23-33(24-22-32)62-31-40(57)48-28-27-47-39(56)20-9-7-11-25-46-38(55)19-10-8-12-26-49-63(60,61)37-18-14-15-34-35(37)16-13-17-36(34)52(3)4/h13-18,21-24,49H,5-12,19-20,25-31H2,1-4H3,(H,46,55)(H,47,56)(H,48,57)(H,50,51)
    MOLECULAR FORMULA
    C45H61N9O8S
    CROSS REFERENCES
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    canSAR1126741

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 887.44
    AlogP 4.42
    HBond donors 5
    HBond acceptors 17
    Atoms 124
    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 canSAR1126741.