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canSAR1596446
FEATURES
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NAMES
    SMILES
    CCCCc1cn(CC(C)(C)CNC(=O)[C@@H](C[C@H](O)[C@@H](N)C[C@H](Cc2ccc(OC)c(OCCCOC)c2)C(C)C)C(C)C)nn1.Cl
    InChI
    InChI=1S/C36H63N5O5.ClH/c1-10-11-13-29-22-41(40-39-29)24-36(6,7)23-38-35(43)30(26(4)5)21-32(42)31(37)20-28(25(2)3)18-27-14-15-33(45-9)34(19-27)46-17-12-16-44-8;/h14-15,19,22,25-26,28,30-32,42H,10-13,16-18,20-21,23-24,37H2,1-9H3,(H,38,43);1H/t28-,30-,31-,32-;/m0./s1
    MOLECULAR FORMULA
    C36H64ClN5O5
    CROSS REFERENCES
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    canSAR1596446

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 681.46
    AlogP 5.86
    HBond donors 4
    HBond acceptors 10
    Atoms 111
    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 canSAR1596446.