990699 logo
canSAR990699
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    [N-]=[N+]=NCCCCCCn1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
    InChI
    InChI=1S/C37H41Cl2N11O4/c38-28-5-14-34(35(39)21-28)37(24-48-26-41-25-43-48)53-23-33(54-37)22-52-32-12-10-30(11-13-32)47-19-17-46(18-20-47)29-6-8-31(9-7-29)49-27-44-50(36(49)51)16-4-2-1-3-15-42-45-40/h5-14,21,25-27,33H,1-4,15-20,22-24H2/t33-,37-/m1/s1
    MOLECULAR FORMULA
    C37H41Cl2N11O4
    CROSS REFERENCES
    990699 logo

    canSAR990699

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 773.27
    AlogP 6.48
    HBond donors 0
    HBond acceptors 15
    Atoms 95
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR990699.