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canSAR346112
FEATURES
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NAMES
    SMILES
    Cc1ccccc1CNC(=O)[C@@H]1CSCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(C)C(C)C(=O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]
    InChI
    InChI=1S/C38H46N8O9S/c1-21-10-8-9-13-26(21)16-40-35(50)29-19-56-20-46(29)36(51)32(47)28(14-25-11-6-5-7-12-25)41-34(49)23(3)24(4)37(52)54-18-30-27(43-44-39)15-31(55-30)45-17-22(2)33(48)42-38(45)53/h5-13,17,23-24,27-32,47H,14-16,18-20H2,1-4H3,(H,40,50)(H,41,49)(H,42,48,53)/t23?,24?,27?,28-,29-,30?,31?,32-/m0/s1
    MOLECULAR FORMULA
    C38H46N8O9S
    CROSS REFERENCES
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    canSAR346112

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 790.31
    AlogP 2.24
    HBond donors 4
    HBond acceptors 17
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR346112.