canSAR823787
FEATURES
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NAMES
    SMILES
    CN1C(=O)[C@H](NC(=O)Nc2cccc(OCCNC(=O)COCC(=O)NCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)C5Cc6ccc(O)c7c6[C@@]4(CCN5)[C@H]3O7)c2)N=C(c2ccccc2)c2ccccc21
    InChI
    InChI=1S/C51H57N9O12/c1-60-36-13-6-5-12-34(36)44(30-8-3-2-4-9-30)58-47(48(60)66)59-49(67)56-32-10-7-11-33(25-32)71-23-22-55-41(64)28-69-26-39(62)53-20-21-54-40(63)27-70-29-42(65)57-35-16-17-51(68)38-24-31-14-15-37(61)45-43(31)50(51,18-19-52-38)46(35)72-45/h2-15,25,35,38,46-47,52,61,68H,16-24,26-29H2,1H3,(H,53,62)(H,54,63)(H,55,64)(H,57,65)(H2,56,59,67)/t35-,38?,46-,47-,50-,51+/m0/s1
    MOLECULAR FORMULA
    C51H57N9O12
    CROSS REFERENCES
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    canSAR823787
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight987.41
    AlogP0.74
    HBond donors9
    HBond acceptors21
    Atoms129
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR823787.