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canSAR653473
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NAMES
    SMILES
    CCCCCCCC1c2cc3[nH]c(cc4nc(cc5[nH]c(cc(n2)[C@]1(C)CC(=O)N(C)C)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)cc3C
    InChI
    InChI=1S/C41H53N5O5/c1-8-9-10-11-12-13-30-36-20-31-24(2)18-27(42-31)19-32-25(3)28(14-16-39(48)49)34(43-32)21-35-29(15-17-40(50)51)26(4)33(44-35)22-37(45-36)41(30,5)23-38(47)46(6)7/h18-22,30,42,44H,8-17,23H2,1-7H3,(H,48,49)(H,50,51)/b27-19-,31-20-,32-19-,33-22-,34-21-,35-21-,36-20-,37-22-/t30?,41-/m1/s1
    MOLECULAR FORMULA
    C41H53N5O5
    CROSS REFERENCES
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    canSAR653473

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 695.40
    AlogP 8.62
    HBond donors 4
    HBond acceptors 10
    Atoms 104
    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 canSAR653473.