canSAR209616
FEATURES
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NAMES
    SMILES
    COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C(=O)C(CO)NC(=O)OC(C)(C)C)c2c1
    InChI
    InChI=1S/C42H46Cl2N6O6/c1-42(2,3)56-41(53)49-37(24-51)40(52)50(18-6-16-45-38-29-12-8-25(43)20-35(29)47-33-14-10-27(54-4)22-31(33)38)19-7-17-46-39-30-13-9-26(44)21-36(30)48-34-15-11-28(55-5)23-32(34)39/h8-15,20-23,37,51H,6-7,16-19,24H2,1-5H3,(H,45,47)(H,46,48)(H,49,53)
    MOLECULAR FORMULA
    C42H46Cl2N6O6
    CROSS REFERENCES
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    canSAR209616
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight800.29
    AlogP8.43
    HBond donors4
    HBond acceptors12
    Atoms102
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR209616.