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canSAR1123655
FEATURES
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NAMES
    SMILES
    CCC(C)Cc1cc(CC2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)ccc1OC
    InChI
    InChI=1S/C42H56N8O8/c1-6-25(4)16-27-17-26(13-14-34(27)58-5)18-31-39(54)44-21-36(52)48-32(19-28-20-43-30-11-8-7-10-29(28)30)42(57)50-15-9-12-33(50)40(55)45-23-37(53)49-38(24(2)3)41(56)46-22-35(51)47-31/h7-8,10-11,13-14,17,20,24-25,31-33,38,43H,6,9,12,15-16,18-19,21-23H2,1-5H3,(H,44,54)(H,45,55)(H,46,56)(H,47,51)(H,48,52)(H,49,53)/t25?,31?,32-,33+,38+/m1/s1
    MOLECULAR FORMULA
    C42H56N8O8
    CROSS REFERENCES
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    canSAR1123655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 800.42
    AlogP 1.01
    HBond donors 7
    HBond acceptors 16
    Atoms 114
    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 canSAR1123655.