653966 logo
canSAR653966
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](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)[C@@H](C)O
    InChI
    InChI=1S/C38H62N10O8/c1-8-21(6)30(47-32(50)25(39)17-23-18-43-26-13-10-9-12-24(23)26)35(53)48-31(22(7)49)36(54)46-29(20(4)5)34(52)45-28(16-19(2)3)33(51)44-27(37(55)56)14-11-15-42-38(40)41/h9-10,12-13,18-22,25,27-31,43,49H,8,11,14-17,39H2,1-7H3,(H,44,51)(H,45,52)(H,46,54)(H,47,50)(H,48,53)(H,55,56)(H4,40,41,42)/t21-,22+,25-,27-,28-,29-,30-,31-/m0/s1
    MOLECULAR FORMULA
    C38H62N10O8
    CROSS REFERENCES
    653966 logo

    canSAR653966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 786.48
    AlogP -0.06
    HBond donors 14
    HBond acceptors 18
    Atoms 118
    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 canSAR653966.