canSAR2062031
FEATURES
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NAMES
    SMILES
    CN(CCCN1C(=O)c2cccc3c(N4CC[C@@H](O)C4)ccc(c23)C1=O)CCCN1C(=O)c2cccc3c(N4CC[C@@H](O)C4)ccc(c23)C1=O
    InChI
    InChI=1S/C39H41N5O6/c1-40(16-4-18-43-36(47)28-8-2-6-26-32(41-20-14-24(45)22-41)12-10-30(34(26)28)38(43)49)17-5-19-44-37(48)29-9-3-7-27-33(42-21-15-25(46)23-42)13-11-31(35(27)29)39(44)50/h2-3,6-13,24-25,45-46H,4-5,14-23H2,1H3/t24-,25-/m1/s1
    MOLECULAR FORMULA
    C39H41N5O6
    CROSS REFERENCES
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    canSAR2062031
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight675.31
    AlogP3.74
    HBond donors2
    HBond acceptors11
    Atoms91
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062031.