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canSAR1145147
FEATURES
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NAMES
    SMILES
    CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2C[C@@H](OC(=O)[C@H](CCCCN)N(C)C)CN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
    InChI
    InChI=1S/C39H58N8O9/c1-21(2)15-27-34(50)42-28(16-23-19-41-26-12-8-7-11-25(23)26)35(51)44-29(18-32(48)49)38(54)47-20-24(56-39(55)30(46(5)6)13-9-10-14-40)17-31(47)36(52)45-33(22(3)4)37(53)43-27/h7-8,11-12,19,21-22,24,27-31,33,41H,9-10,13-18,20,40H2,1-6H3,(H,42,50)(H,43,53)(H,44,51)(H,45,52)(H,48,49)/t24-,27+,28-,29-,30+,31+,33-/m1/s1
    MOLECULAR FORMULA
    C39H58N8O9
    CROSS REFERENCES
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    canSAR1145147

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 782.43
    AlogP 0.41
    HBond donors 8
    HBond acceptors 17
    Atoms 114
    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 canSAR1145147.