canSAR108728
FEATURES
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NAMES
    SMILES
    COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)C(=O)C(CC(=O)O)NC(=O)OC(C)(C)C)c2c1
    InChI
    InChI=1S/C43H46Cl2N6O7/c1-43(2,3)58-42(55)50-37(24-38(52)53)41(54)51(18-6-16-46-39-29-12-8-25(44)20-35(29)48-33-14-10-27(56-4)22-31(33)39)19-7-17-47-40-30-13-9-26(45)21-36(30)49-34-15-11-28(57-5)23-32(34)40/h8-15,20-23,37H,6-7,16-19,24H2,1-5H3,(H,46,48)(H,47,49)(H,50,55)(H,52,53)
    MOLECULAR FORMULA
    C43H46Cl2N6O7
    CROSS REFERENCES
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    canSAR108728
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight828.28
    AlogP8.91
    HBond donors4
    HBond acceptors13
    Atoms104
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR108728.