65371 logo
canSAR65371
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[C@@H](C)[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
    InChI
    InChI=1S/C47H60N8O10/c1-4-28(2)41(46(63)54-39(47(64)65)25-32-27-49-34-19-12-11-18-33(32)34)55-43(60)36(22-21-30-14-7-5-8-15-30)52-45(62)38(26-40(57)58)53-42(59)35(20-13-23-48)51-44(61)37(50-29(3)56)24-31-16-9-6-10-17-31/h5-12,14-19,27-28,35-39,41,49H,4,13,20-26,48H2,1-3H3,(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,63)(H,55,60)(H,57,58)(H,64,65)/t28-,35+,36+,37-,38+,39+,41+/m1/s1
    MOLECULAR FORMULA
    C47H60N8O10
    CROSS REFERENCES
    65371 logo

    canSAR65371

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 896.44
    AlogP 1.86
    HBond donors 11
    HBond acceptors 18
    Atoms 125
    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 canSAR65371.