6638 logo
canSAR6638
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(C)[C@@H](NC(=O)[C@@H]1NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC1(C)C)C(=O)NCC(N)=O
    InChI
    InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1
    MOLECULAR FORMULA
    C37H50N8O10S2
    CROSS REFERENCES
    6638 logo

    canSAR6638

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 830.31
    AlogP -1.17
    HBond donors 12
    HBond acceptors 18
    Atoms 107
    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 canSAR6638.