1125762 logo
canSAR1125762
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C35H43N9O4/c36-26(18-22-10-3-1-4-11-22)32(46)43-29(19-23-12-5-2-6-13-23)33(47)44-30(20-24-21-41-27-15-8-7-14-25(24)27)34(48)42-28(31(37)45)16-9-17-40-35(38)39/h1-8,10-15,21,26,28-30,41H,9,16-20,36H2,(H2,37,45)(H,42,48)(H,43,46)(H,44,47)(H4,38,39,40)/t26-,28-,29-,30+/m0/s1
    MOLECULAR FORMULA
    C35H43N9O4
    CROSS REFERENCES
    1125762 logo

    canSAR1125762

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 653.34
    AlogP 0.73
    HBond donors 12
    HBond acceptors 13
    Atoms 91
    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 canSAR1125762.