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canSAR987009
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@@H](CN(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O)NC[C@@H](N)CS
    InChI
    InChI=1S/C30H46N4O3S2/c1-4-22(2)27(32-18-25(31)21-38)20-34(19-24-13-9-6-10-14-24)28(17-23-11-7-5-8-12-23)29(35)33-26(30(36)37)15-16-39-3/h5-14,22,25-28,32,38H,4,15-21,31H2,1-3H3,(H,33,35)(H,36,37)/t22-,25-,26+,27-,28+/m1/s1
    MOLECULAR FORMULA
    C30H46N4O3S2
    CROSS REFERENCES
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    canSAR987009

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 574.30
    AlogP 3.68
    HBond donors 5
    HBond acceptors 7
    Atoms 85
    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 canSAR987009.