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canSAR920172
FEATURES
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NAMES
    SMILES
    COc1cccc(CN2C[C@@H](C)NC(=O)c3sc4ccc(OC)cc4c32)c1
    InChI
    InChI=1S/C21H22N2O3S/c1-13-11-23(12-14-5-4-6-15(9-14)25-2)19-17-10-16(26-3)7-8-18(17)27-20(19)21(24)22-13/h4-10,13H,11-12H2,1-3H3,(H,22,24)/t13-/m1/s1
    MOLECULAR FORMULA
    C21H22N2O3S
    CROSS REFERENCES
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    canSAR920172

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.14
    AlogP 4.06
    HBond donors 1
    HBond acceptors 5
    Atoms 49
    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 canSAR920172.