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canSAR1025610
FEATURES
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NAMES
    SMILES
    O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3ccccc3OCCF)nc(Cl)nc21
    InChI
    InChI=1S/C20H21ClFN5O3/c21-20-25-18(23-8-10-3-1-2-4-13(10)30-6-5-22)14-19(26-20)27(9-24-14)15-11-7-12(11)16(28)17(15)29/h1-4,9,11-12,15-17,28-29H,5-8H2,(H,23,25,26)/t11-,12+,15+,16+,17-/m0/s1
    MOLECULAR FORMULA
    C20H21ClFN5O3
    CROSS REFERENCES
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    canSAR1025610

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.13
    AlogP 2.35
    HBond donors 3
    HBond acceptors 8
    Atoms 51
    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 canSAR1025610.