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canSAR464477
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NAMES
    SMILES
    O=C(N[C@@H](CC1CCCCC1)C(=O)NCCNc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1
    InChI
    InChI=1S/C30H31F6N3O4/c31-29(32,33)21-8-4-7-20(18-21)25-13-14-26(42-25)28(41)39-24(17-19-5-2-1-3-6-19)27(40)38-16-15-37-22-9-11-23(12-10-22)43-30(34,35)36/h4,7-14,18-19,24,37H,1-3,5-6,15-17H2,(H,38,40)(H,39,41)/t24-/m0/s1
    MOLECULAR FORMULA
    C30H31F6N3O4
    CROSS REFERENCES
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    canSAR464477

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 611.22
    AlogP 7.16
    HBond donors 3
    HBond acceptors 7
    Atoms 74
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR464477.