1688438 logo
canSAR1688438
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    [NH-]C(N)=[NH+]CCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
    InChI
    InChI=1S/C44H48N12O8S/c45-38(57)36-23-65-37-15-14-30(56(63)64)21-31(37)39(58)52-35(20-29-22-48-24-50-29)43(62)54-33(18-25-7-2-1-3-8-25)41(60)51-32(11-6-16-49-44(46)47)40(59)53-34(42(61)55-36)19-26-12-13-27-9-4-5-10-28(27)17-26/h1-5,7-10,12-15,17,21-22,24,32-36H,6,11,16,18-20,23H2,(H12,45,46,47,48,49,50,51,52,53,54,55,57,58,59,60,61,62)/t32-,33+,34-,35-,36?/m0/s1
    MOLECULAR FORMULA
    C44H48N12O8S
    CROSS REFERENCES
    1688438 logo

    canSAR1688438

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 904.34
    AlogP 0.06
    HBond donors 12
    HBond acceptors 20
    Atoms 113
    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 canSAR1688438.