canSAR2062176
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OC(c2ccc(-c4cncnc4)cc2)n2c-3cc3cc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)ccc32)[nH]1)C(C)C
    InChI
    InChI=1S/C53H57N11O7/c1-29(2)45(60-52(67)69-5)49(65)62-19-7-9-41(62)47-56-26-38(58-47)33-16-18-40-35(21-33)22-43-37-17-15-34(23-44(37)71-51(64(40)43)32-13-11-31(12-14-32)36-24-54-28-55-25-36)39-27-57-48(59-39)42-10-8-20-63(42)50(66)46(30(3)4)61-53(68)70-6/h11-18,21-30,41-42,45-46,51H,7-10,19-20H2,1-6H3,(H,56,58)(H,57,59)(H,60,67)(H,61,68)/t41-,42-,45-,46-,51?/m0/s1
    MOLECULAR FORMULA
    C53H57N11O7
    CROSS REFERENCES
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    canSAR2062176
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight959.44
    AlogP8.57
    HBond donors4
    HBond acceptors18
    Atoms128
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2062176.