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canSAR1121244
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(=O)c1nc2ccccc2s1
    InChI
    InChI=1S/C27H30N4O5S/c1-16(2)22(31-27(35)36-15-17-8-4-3-5-9-17)25(34)29-20(14-18-12-13-28-24(18)33)23(32)26-30-19-10-6-7-11-21(19)37-26/h3-11,16,18,20,22H,12-15H2,1-2H3,(H,28,33)(H,29,34)(H,31,35)/t18-,20-,22-/m0/s1
    MOLECULAR FORMULA
    C27H30N4O5S
    CROSS REFERENCES
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    canSAR1121244

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 522.19
    AlogP 3.44
    HBond donors 3
    HBond acceptors 9
    Atoms 67
    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 canSAR1121244.