canSAR1084052
FEATURES
Loading...
NAMES
    SMILES
    CCCNC(=O)N[C@@]1(CC)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
    InChI
    InChI=1S/C50H66N6O9/c1-9-20-51-45(60)53-46(10-2)26-31-27-49(43(58)63-7,39-33(17-22-55(28-31)29-46)32-15-12-13-16-36(32)52-39)35-24-34-37(25-38(35)62-6)54(5)41-48(34)19-23-56-21-14-18-47(11-3,40(48)56)42(65-30(4)57)50(41,61)44(59)64-8/h12-16,18,24-25,31,40-42,52,61H,9-11,17,19-23,26-29H2,1-8H3,(H2,51,53,60)/t31-,40+,41-,42-,46+,47-,48-,49+,50+/m1/s1
    MOLECULAR FORMULA
    C50H66N6O9
    CROSS REFERENCES
    Loading...
    canSAR1084052
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight894.49
    AlogP4.71
    HBond donors4
    HBond acceptors15
    Atoms131
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1084052.