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canSAR1767393
FEATURES
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NAMES
    SMILES
    C#CCN1C(=O)S/C(=C\c2ccc(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O
    InChI
    InChI=1S/C34H41N9O6S/c1-2-19-43-32(48)26(50-34(43)49)20-21-13-15-23(16-14-21)29(45)40-25(12-8-18-39-33(37)38)30(46)41-24(11-6-7-17-35)31(47)42-27(28(36)44)22-9-4-3-5-10-22/h1,3-5,9-10,13-16,20,24-25,27H,6-8,11-12,17-19,35H2,(H2,36,44)(H,40,45)(H,41,46)(H,42,47)(H4,37,38,39)/b26-20-/t24-,25-,27-/m0/s1
    MOLECULAR FORMULA
    C34H41N9O6S
    CROSS REFERENCES
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    canSAR1767393

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 703.29
    AlogP 0.67
    HBond donors 11
    HBond acceptors 15
    Atoms 91
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1767393.