canSAR715409
FEATURES
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NAMES
    SMILES
    CN(C)CCNc1ccc(NCCCN(C)CCCNc2ccc(NCCN(C)C)c3c2C(=O)c2cnccc2C3=O)c2c1C(=O)c1ccncc1C2=O
    InChI
    InChI=1S/C41H49N9O4/c1-48(2)22-18-46-32-10-8-30(36-34(32)38(51)26-12-16-42-24-28(26)40(36)53)44-14-6-20-50(5)21-7-15-45-31-9-11-33(47-19-23-49(3)4)35-37(31)41(54)29-25-43-17-13-27(29)39(35)52/h8-13,16-17,24-25,44-47H,6-7,14-15,18-23H2,1-5H3
    MOLECULAR FORMULA
    C41H49N9O4
    CROSS REFERENCES
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    canSAR715409
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight731.39
    AlogP4.21
    HBond donors4
    HBond acceptors13
    Atoms103
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR715409.