1143919 logo
canSAR1143919
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1c(C(=O)NC2CCN(C(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@H]3CC[C@@]4(O)[C@H]5Cc6ccc(O)c7c6[C@@]4(CCN5C)[C@H]3O7)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
    InChI
    InChI=1S/C53H63Cl3N8O10/c1-31-47(61-64(39-13-12-35(55)26-37(39)56)48(31)32-7-10-34(54)11-8-32)51(70)59-36-16-22-63(23-17-36)45(69)30-73-28-43(67)58-21-6-4-3-5-20-57-42(66)27-72-29-44(68)60-38-15-18-53(71)41-25-33-9-14-40(65)49-46(33)52(53,50(38)74-49)19-24-62(41)2/h7-14,26,36,38,41,50,65,71H,3-6,15-25,27-30H2,1-2H3,(H,57,66)(H,58,67)(H,59,70)(H,60,68)/t38-,41+,50-,52-,53+/m0/s1
    MOLECULAR FORMULA
    C53H63Cl3N8O10
    CROSS REFERENCES
    1143919 logo

    canSAR1143919

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1076.37
    AlogP 5.03
    HBond donors 6
    HBond acceptors 18
    Atoms 137
    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 canSAR1143919.