canSAR1503556
FEATURES
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NAMES
    SMILES
    CCCCCCCN1CC[C@H](CCCc2ccnc3ccc(OCCCCNC(N)=O)cc23)[C@H](CC)C1.O=C(O)C(=O)O
    InChI
    InChI=1S/C31H50N4O2.C2H2O4/c1-3-5-6-7-9-20-35-21-17-26(25(4-2)24-35)12-11-13-27-16-19-33-30-15-14-28(23-29(27)30)37-22-10-8-18-34-31(32)36;3-1(4)2(5)6/h14-16,19,23,25-26H,3-13,17-18,20-22,24H2,1-2H3,(H3,32,34,36);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C33H52N4O6
    CROSS REFERENCES
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    canSAR1503556
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight600.39
    AlogP5.86
    HBond donors5
    HBond acceptors10
    Atoms95
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1503556.