canSAR71634
FEATURES
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NAMES
    SMILES
    CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21.Oc1c(-c2ccsc2)cnc2c(-c3ccccn3)cnn12
    InChI
    InChI=1S/C16H13ClN2O.C15H10N4OS/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11;20-15-11(10-4-6-21-9-10)7-17-14-12(8-18-19(14)15)13-3-1-2-5-16-13/h2-9H,10H2,1H3;1-9,20H
    MOLECULAR FORMULA
    C31H23ClN6O2S
    CROSS REFERENCES
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    canSAR71634
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight578.13
    AlogP6.38
    HBond donors1
    HBond acceptors8
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR71634.