canSAR54313
FEATURES
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NAMES
    SMILES
    COc1ccc(CC(=O)NCC2(N3CCN(C(=O)[C@@H](Cc4ccc(Cl)cc4Cl)NC(=O)CCN)CC3)CCCCC2)cc1OC
    InChI
    InChI=1S/C33H45Cl2N5O5/c1-44-28-9-6-23(18-29(28)45-2)19-31(42)37-22-33(11-4-3-5-12-33)40-16-14-39(15-17-40)32(43)27(38-30(41)10-13-36)20-24-7-8-25(34)21-26(24)35/h6-9,18,21,27H,3-5,10-17,19-20,22,36H2,1-2H3,(H,37,42)(H,38,41)/t27-/m1/s1
    MOLECULAR FORMULA
    C33H45Cl2N5O5
    CROSS REFERENCES
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    canSAR54313
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight661.28
    AlogP3.59
    HBond donors4
    HBond acceptors10
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR54313.