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canSAR1145467
FEATURES
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NAMES
    SMILES
    CCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)OC(C)(C)C
    InChI
    InChI=1S/C49H71N11O8/c1-6-7-13-24-52-44(64)39-22-15-26-59(39)46(66)40-23-16-27-60(40)45(65)38(28-32-17-9-8-10-18-32)57-43(63)37(29-33-30-54-35-20-12-11-19-34(33)35)56-41(61)31(2)55-42(62)36(21-14-25-53-47(50)51)58-48(67)68-49(3,4)5/h8-12,17-20,30-31,36-40,54H,6-7,13-16,21-29H2,1-5H3,(H,52,64)(H,55,62)(H,56,61)(H,57,63)(H,58,67)(H4,50,51,53)/t31-,36-,37+,38-,39-,40+/m0/s1
    MOLECULAR FORMULA
    C49H71N11O8
    CROSS REFERENCES
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    canSAR1145467

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 941.55
    AlogP 2.66
    HBond donors 10
    HBond acceptors 19
    Atoms 139
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145467.