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canSAR845239
FEATURES
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NAMES
    SMILES
    O=C(NN1C(=O)[C@H]2C3C=CC(C4CC43)[C@H]2C1=O)c1ccc(CNc2cccc(Cl)c2)cc1
    InChI
    InChI=1S/C25H22ClN3O3/c26-15-2-1-3-16(10-15)27-12-13-4-6-14(7-5-13)23(30)28-29-24(31)21-17-8-9-18(20-11-19(17)20)22(21)25(29)32/h1-10,17-22,27H,11-12H2,(H,28,30)/t17?,18?,19?,20?,21-,22+
    MOLECULAR FORMULA
    C25H22ClN3O3
    CROSS REFERENCES
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    canSAR845239

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.13
    AlogP 3.65
    HBond donors 2
    HBond acceptors 6
    Atoms 54
    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 canSAR845239.