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canSAR1127349
FEATURES
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NAMES
    SMILES
    COc1ccc(C(O)C2NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC2=O)cc1
    InChI
    InChI=1S/C37H46N8O9/c1-20(2)31-35(51)40-19-30(48)44-32(33(49)21-10-12-23(54-3)13-11-21)36(52)41-17-28(46)42-26(15-22-16-38-25-8-5-4-7-24(22)25)37(53)45-14-6-9-27(45)34(50)39-18-29(47)43-31/h4-5,7-8,10-13,16,20,26-27,31-33,38,49H,6,9,14-15,17-19H2,1-3H3,(H,39,50)(H,40,51)(H,41,52)(H,42,46)(H,43,47)(H,44,48)/t26-,27+,31+,32?,33?/m1/s1
    MOLECULAR FORMULA
    C37H46N8O9
    CROSS REFERENCES
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    canSAR1127349

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 746.34
    AlogP -1.08
    HBond donors 8
    HBond acceptors 17
    Atoms 100
    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 canSAR1127349.