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canSAR150133
FEATURES
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NAMES
    SMILES
    CC(C)CCc1sc(NC(=O)c2cc(NC(=O)c3ccc(/C=C/c4cc5ccccc5nc4Cl)cc3)cn2C)nc1C(=O)NCCN1CCOCC1
    InChI
    InChI=1S/C39H42ClN7O4S/c1-25(2)8-15-33-34(38(50)41-16-17-47-18-20-51-21-19-47)44-39(52-33)45-37(49)32-23-30(24-46(32)3)42-36(48)27-12-9-26(10-13-27)11-14-29-22-28-6-4-5-7-31(28)43-35(29)40/h4-7,9-14,22-25H,8,15-21H2,1-3H3,(H,41,50)(H,42,48)(H,44,45,49)/b14-11+
    MOLECULAR FORMULA
    C39H42ClN7O4S
    CROSS REFERENCES
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    canSAR150133

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 739.27
    AlogP 7.01
    HBond donors 3
    HBond acceptors 11
    Atoms 94
    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 canSAR150133.