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canSAR1618921
FEATURES
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NAMES
    SMILES
    Cc1ccc(C)c(N2CCN(CCC(=O)N[C@@H](Cc3ccccc3)[C@H](Cc3ccccc3)NC(=O)OC3CCCC3)CC2)c1
    InChI
    InChI=1S/C37H48N4O3/c1-28-17-18-29(2)35(25-28)41-23-21-40(22-24-41)20-19-36(42)38-33(26-30-11-5-3-6-12-30)34(27-31-13-7-4-8-14-31)39-37(43)44-32-15-9-10-16-32/h3-8,11-14,17-18,25,32-34H,9-10,15-16,19-24,26-27H2,1-2H3,(H,38,42)(H,39,43)/t33-,34-/m0/s1
    MOLECULAR FORMULA
    C37H48N4O3
    CROSS REFERENCES
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    canSAR1618921

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 596.37
    AlogP 5.82
    HBond donors 2
    HBond acceptors 7
    Atoms 92
    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 canSAR1618921.