canSAR855328
FEATURES
Loading...
NAMES
    SMILES
    CCN1CCN(C(=O)NC(C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O.CCOC(=O)c1cn(C[C@@]2(C)[C@H](C(=O)[O-])C3C(=O)CC3S2(=O)=O)nn1.[Na+]
    InChI
    InChI=1S/C23H27N5O7S.C14H17N3O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;1-3-24-13(21)7-5-17(16-15-7)6-14(2)11(12(19)20)10-8(18)4-9(10)25(14,22)23;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);5,9-11H,3-4,6H2,1-2H3,(H,19,20);/q;;+1/p-1/t13?,14-,15+,20-;9?,10?,11-,14-;/m10./s1
    MOLECULAR FORMULA
    C37H43N8NaO14S2
    CROSS REFERENCES
    Loading...
    canSAR855328
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight910.22
    AlogP-5.27
    HBond donors3
    HBond acceptors22
    Atoms105
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR855328.