1023729 logo
canSAR1023729
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CNC(C)=C1C(=O)Nc2ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]3CO[C@H]4OCC[C@@H]34)cc21
    InChI
    InChI=1S/C32H42N4O8S/c1-19(2)16-36(45(40,41)22-10-11-25-24(15-22)29(20(3)33-4)30(38)34-25)17-27(37)26(14-21-8-6-5-7-9-21)35-32(39)44-28-18-43-31-23(28)12-13-42-31/h5-11,15,19,23,26-28,31,33,37H,12-14,16-18H2,1-4H3,(H,34,38)(H,35,39)/t23-,26-,27+,28-,31+/m0/s1
    MOLECULAR FORMULA
    C32H42N4O8S
    CROSS REFERENCES
    1023729 logo

    canSAR1023729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.27
    AlogP 2.70
    HBond donors 4
    HBond acceptors 12
    Atoms 87
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1023729.