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canSAR2095313
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NAMES
    SMILES
    Cc1nc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)cs1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C16H21N5OS.C2HF3O2/c1-11-18-12(10-23-11)8-20-6-5-15-14(20)3-4-16(22)21(15)13-7-17-19(2)9-13;3-2(4,5)1(6)7/h7,9-10,14-15H,3-6,8H2,1-2H3;(H,6,7)/t14-,15-;/m0./s1
    MOLECULAR FORMULA
    C18H22F3N5O3S
    CROSS REFERENCES
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    canSAR2095313

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.14
    AlogP 2.59
    HBond donors 1
    HBond acceptors 8
    Atoms 52
    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 canSAR2095313.