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canSAR561222
FEATURES
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NAMES
    SMILES
    CCCCCCCN1CC[C@@H](CCCc2ccnc3ccc(OCCCCNC(N)=O)cc23)[C@@H](CC)C1
    InChI
    InChI=1S/C31H50N4O2/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/h14-16,19,23,25-26H,3-13,17-18,20-22,24H2,1-2H3,(H3,32,34,36)/t25-,26+/m0/s1
    MOLECULAR FORMULA
    C31H50N4O2
    CROSS REFERENCES
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    canSAR561222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.39
    AlogP 6.70
    HBond donors 3
    HBond acceptors 6
    Atoms 87
    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 canSAR561222.