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canSAR1131455
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C38H48N10O10/c39-38(40)41-14-6-12-27(47-36(56)30(20-49)46-31(50)13-5-7-21-17-42-25-10-3-1-8-23(21)25)34(54)44-19-32(51)45-28(16-33(52)53)35(55)48-29(37(57)58)15-22-18-43-26-11-4-2-9-24(22)26/h1-4,8-11,17-18,27-30,42-43,49H,5-7,12-16,19-20H2,(H,44,54)(H,45,51)(H,46,50)(H,47,56)(H,48,55)(H,52,53)(H,57,58)(H4,39,40,41)/t27-,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C38H48N10O10
    CROSS REFERENCES
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    canSAR1131455

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 804.36
    AlogP -0.92
    HBond donors 14
    HBond acceptors 20
    Atoms 106
    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 canSAR1131455.