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canSAR1725841
FEATURES
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NAMES
    SMILES
    C/C=C/c1cccc(-c2nc(C(=O)Nc3nccs3)cc3c2[C@@H](CCO)N(C(=O)NC(C)C)C3)c1
    InChI
    InChI=1S/C26H29N5O3S/c1-4-6-17-7-5-8-18(13-17)23-22-19(14-20(29-23)24(33)30-25-27-10-12-35-25)15-31(21(22)9-11-32)26(34)28-16(2)3/h4-8,10,12-14,16,21,32H,9,11,15H2,1-3H3,(H,28,34)(H,27,30,33)/b6-4+/t21-/m1/s1
    MOLECULAR FORMULA
    C26H29N5O3S
    CROSS REFERENCES
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    canSAR1725841

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.20
    AlogP 4.85
    HBond donors 3
    HBond acceptors 8
    Atoms 64
    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 canSAR1725841.