canSAR627642
FEATURES
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NAMES
    SMILES
    O=C(NC(=O)c1cn(CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCO)CCn2cc(C(=O)NC(=O)OCc3ccccc3)c(=O)[nH]c2=O)c(=O)[nH]c1=O)OCc1ccccc1
    InChI
    InChI=1S/C42H52N10O14/c53-23-21-49(17-19-51-25-31(33(55)45-39(51)61)35(57)47-41(63)65-27-29-11-5-3-6-12-29)37(59)43-15-9-1-2-10-16-44-38(60)50(22-24-54)18-20-52-26-32(34(56)46-40(52)62)36(58)48-42(64)66-28-30-13-7-4-8-14-30/h3-8,11-14,25-26,53-54H,1-2,9-10,15-24,27-28H2,(H,43,59)(H,44,60)(H,45,55,61)(H,46,56,62)(H,47,57,63)(H,48,58,64)
    MOLECULAR FORMULA
    C42H52N10O14
    CROSS REFERENCES
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    canSAR627642
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight920.37
    AlogP-0.21
    HBond donors8
    HBond acceptors24
    Atoms118
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR627642.