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canSAR2085038
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)NCCCCN2CCCC2)C32CC2)n1
    InChI
    InChI=1S/C25H34N4O3S/c1-16(30)19-15-33-20(28-19)14-27-24(32)22-18-7-6-17(25(18)8-9-25)21(22)23(31)26-10-2-3-11-29-12-4-5-13-29/h6-7,15,17-18,21-22H,2-5,8-14H2,1H3,(H,26,31)(H,27,32)/t17-,18+,21-,22-/m1/s1
    MOLECULAR FORMULA
    C25H34N4O3S
    CROSS REFERENCES
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    canSAR2085038

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.24
    AlogP 2.78
    HBond donors 2
    HBond acceptors 7
    Atoms 67
    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 canSAR2085038.