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canSAR93579
FEATURES
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NAMES
    SMILES
    O=C(C[C@H]1S[C@H](c2ccncc2)N(CC(=O)NCCCN2CCOCC2)C1=O)NCc1cccc2ccccc12
    InChI
    InChI=1S/C30H35N5O4S/c36-27(33-20-24-7-3-6-22-5-1-2-8-25(22)24)19-26-29(38)35(30(40-26)23-9-12-31-13-10-23)21-28(37)32-11-4-14-34-15-17-39-18-16-34/h1-3,5-10,12-13,26,30H,4,11,14-21H2,(H,32,37)(H,33,36)/t26-,30-/m1/s1
    MOLECULAR FORMULA
    C30H35N5O4S
    CROSS REFERENCES
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    canSAR93579

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 561.24
    AlogP 2.72
    HBond donors 2
    HBond acceptors 9
    Atoms 75
    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 canSAR93579.