canSAR1416887
FEATURES
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NAMES
    SMILES
    O=C1NC[C@H](CCCCN2C[C@H](Cc3ccccc3)N(CCC3CCCCC3)C(=O)C2=O)N(CCc2ccccc2)C1=O
    InChI
    InChI=1S/C35H46N4O4/c40-32-33(41)38(22-19-27-12-4-1-5-13-27)30(25-36-32)18-10-11-21-37-26-31(24-29-16-8-3-9-17-29)39(35(43)34(37)42)23-20-28-14-6-2-7-15-28/h1,3-5,8-9,12-13,16-17,28,30-31H,2,6-7,10-11,14-15,18-26H2,(H,36,40)/t30-,31-/m0/s1
    MOLECULAR FORMULA
    C35H46N4O4
    CROSS REFERENCES
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    canSAR1416887
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight586.35
    AlogP3.98
    HBond donors1
    HBond acceptors8
    Atoms89
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1416887.