1131970 logo
canSAR1131970
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1(C)SSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H]1NC(=O)[C@@H](N)Cc1ccc(O)cc1
    InChI
    InChI=1S/C37H43FN6O8S2/c1-37(2)31(44-32(47)26(39)16-22-10-14-25(45)15-11-22)35(50)40-19-30(46)41-27(17-23-8-12-24(38)13-9-23)33(48)43-29(20-53-54-37)34(49)42-28(36(51)52)18-21-6-4-3-5-7-21/h3-15,26-29,31,45H,16-20,39H2,1-2H3,(H,40,50)(H,41,46)(H,42,49)(H,43,48)(H,44,47)(H,51,52)/t26-,27-,28-,29-,31-/m0/s1
    MOLECULAR FORMULA
    C37H43FN6O8S2
    CROSS REFERENCES
    1131970 logo

    canSAR1131970

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 782.26
    AlogP 1.20
    HBond donors 9
    HBond acceptors 14
    Atoms 97
    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 canSAR1131970.