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canSAR1064887
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
    InChI
    InChI=1S/C36H48N12O6/c1-21(43-33(51)26(38)17-24-19-40-20-42-24)32(50)47-48-36(54)46-30(16-23-18-41-27-12-6-5-11-25(23)27)35(53)45-29(15-22-9-3-2-4-10-22)34(52)44-28(31(39)49)13-7-8-14-37/h2-6,9-12,18-21,26,28-30,41H,7-8,13-17,37-38H2,1H3,(H2,39,49)(H,40,42)(H,43,51)(H,44,52)(H,45,53)(H,47,50)(H2,46,48,54)/t21-,26+,28+,29-,30+/m1/s1
    MOLECULAR FORMULA
    C36H48N12O6
    CROSS REFERENCES
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    canSAR1064887

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 744.38
    AlogP -0.97
    HBond donors 14
    HBond acceptors 18
    Atoms 102
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1064887.