837527 logo
canSAR837527
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N#Cc1cccc([C@@H]2NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)CNC2=O)c1
    InChI
    InChI=1S/C32H41N11O12S2/c33-8-14-2-1-3-15(4-14)26-32(55)38-10-24(47)43-11-16(44)5-21(43)31(54)40-18(6-22(35)45)30(53)41-20(27(36)50)13-57-56-12-17(34)28(51)39-19(7-25(48)49)29(52)37-9-23(46)42-26/h1-4,16-21,26,44H,5-7,9-13,34H2,(H2,35,45)(H2,36,50)(H,37,52)(H,38,55)(H,39,51)(H,40,54)(H,41,53)(H,42,46)(H,48,49)/t16-,17-,18+,19-,20-,21+,26+/m1/s1
    MOLECULAR FORMULA
    C32H41N11O12S2
    CROSS REFERENCES
    837527 logo

    canSAR837527

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 835.24
    AlogP -6.08
    HBond donors 14
    HBond acceptors 23
    Atoms 98
    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 canSAR837527.