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canSAR1014215
FEATURES
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NAMES
    SMILES
    CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CCNCc1ccc(OC)cc1
    InChI
    InChI=1S/C38H49N5O4/c1-4-32(39-2)36(44)42-35-29(23-24-40-25-26-15-20-31(47-3)21-16-26)17-18-30-19-22-33(43(30)38(35)46)37(45)41-34(27-11-7-5-8-12-27)28-13-9-6-10-14-28/h5-16,20-21,29-30,32-35,39-40H,4,17-19,22-25H2,1-3H3,(H,41,45)(H,42,44)/t29-,30+,32+,33+,35+/m1/s1
    MOLECULAR FORMULA
    C38H49N5O4
    CROSS REFERENCES
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    canSAR1014215

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 639.38
    AlogP 4.33
    HBond donors 4
    HBond acceptors 9
    Atoms 96
    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 canSAR1014215.