canSAR2096495
FEATURES
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NAMES
    SMILES
    COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c(c2)OC(c2ccc(Cl)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/C49H54ClN9O7/c1-26(2)41(55-48(62)64-5)45(60)57-19-7-9-37(57)43-51-24-34(53-43)29-14-18-36-31(21-29)22-39-33-17-13-30(23-40(33)66-47(59(36)39)28-11-15-32(50)16-12-28)35-25-52-44(54-35)38-10-8-20-58(38)46(61)42(27(3)4)56-49(63)65-6/h11-18,21-27,37-38,41-42,47H,7-10,19-20H2,1-6H3,(H,51,53)(H,52,54)(H,55,62)(H,56,63)/t37-,38-,41-,42-,47?/m0/s1
    MOLECULAR FORMULA
    C49H54ClN9O7
    CROSS REFERENCES
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    canSAR2096495
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight915.38
    AlogP8.77
    HBond donors4
    HBond acceptors16
    Atoms120
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096495.