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canSAR1105410
FEATURES
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NAMES
    SMILES
    O=c1nc(SCc2ccc(F)cc2)n(Cc2nnc(CNCCN3CCOCC3)n2Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2
    InChI
    InChI=1S/C38H39F4N7O2S/c39-31-14-6-27(7-15-31)25-52-37-44-36(50)32-2-1-3-33(32)48(37)24-35-46-45-34(22-43-16-17-47-18-20-51-21-19-47)49(35)23-26-4-8-28(9-5-26)29-10-12-30(13-11-29)38(40,41)42/h4-15,43H,1-3,16-25H2
    MOLECULAR FORMULA
    C38H39F4N7O2S
    CROSS REFERENCES
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    canSAR1105410

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 733.28
    AlogP 5.96
    HBond donors 1
    HBond acceptors 9
    Atoms 91
    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 canSAR1105410.