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canSAR2092586
FEATURES
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NAMES
    SMILES
    CC(=O)c1csc(CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCN(C)C)C32CC2)n1
    InChI
    InChI=1S/C22H30N4O3S/c1-13(27)16-12-30-17(25-16)11-24-21(29)19-15-6-5-14(22(15)7-8-22)18(19)20(28)23-9-4-10-26(2)3/h5-6,12,14-15,18-19H,4,7-11H2,1-3H3,(H,23,28)(H,24,29)/t14-,15+,18-,19-/m1/s1
    MOLECULAR FORMULA
    C22H30N4O3S
    CROSS REFERENCES
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    canSAR2092586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.20
    AlogP 1.86
    HBond donors 2
    HBond acceptors 7
    Atoms 60
    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 canSAR2092586.