1143175 logo
canSAR1143175
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@@H](N)c2ccccc2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C34H50N2O5S/c1-8-32(6)18-25(33(7)21(2)14-16-34(22(3)29(32)39)17-15-24(37)28(33)34)41-26(38)19-42-31(4,5)20-36-30(40)27(35)23-12-10-9-11-13-23/h8-13,21-22,25,27-29,39H,1,14-20,35H2,2-7H3,(H,36,40)/t21-,22+,25-,27+,28+,29+,32-,33+,34+/m1/s1
    MOLECULAR FORMULA
    C34H50N2O5S
    CROSS REFERENCES
    1143175 logo

    canSAR1143175

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 598.34
    AlogP 5.22
    HBond donors 4
    HBond acceptors 7
    Atoms 92
    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 canSAR1143175.