1975370 logo
canSAR1975370
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4ccc(N)nc4)c3)CC2)=C(c2ccc(Cl)cc2)C1
    InChI
    InChI=1S/C43H50ClN7O7S/c1-43(2)16-13-31(37(25-43)30-3-5-32(44)6-4-30)28-49-17-19-50(20-18-49)33-7-10-36(40(23-33)58-34-8-12-41(45)47-27-34)42(52)48-59(55,56)35-9-11-38(39(24-35)51(53)54)46-26-29-14-21-57-22-15-29/h3-12,23-24,27,29,46H,13-22,25-26,28H2,1-2H3,(H2,45,47)(H,48,52)
    MOLECULAR FORMULA
    C43H50ClN7O7S
    CROSS REFERENCES
    1975370 logo

    canSAR1975370

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 843.32
    AlogP 7.76
    HBond donors 4
    HBond acceptors 14
    Atoms 109
    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 canSAR1975370.