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canSAR1127048
FEATURES
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NAMES
    SMILES
    CC(=O)N1CSC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(N)=O
    InChI
    InChI=1S/C33H53N9O6S/c1-19(2)14-24(29(45)38-23(28(34)44)12-9-13-37-33(35)36)39-30(46)25(15-20(3)4)40-31(47)26(16-22-10-7-6-8-11-22)41-32(48)27-17-49-18-42(27)21(5)43/h6-8,10-11,19-20,23-27H,9,12-18H2,1-5H3,(H2,34,44)(H,38,45)(H,39,46)(H,40,47)(H,41,48)(H4,35,36,37)/t23-,24-,25-,26-,27-/m0/s1
    MOLECULAR FORMULA
    C33H53N9O6S
    CROSS REFERENCES
    1127048 logo

    canSAR1127048

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 703.38
    AlogP -0.28
    HBond donors 10
    HBond acceptors 15
    Atoms 102
    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 canSAR1127048.