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canSAR1091169
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NAMES
    SMILES
    N=C(N)NCC[C@@H](N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1c[nH]c2ccccc12
    InChI
    InChI=1S/C31H52N10O4/c32-24(13-18-39-31(34)35)29(44)37-16-8-4-2-1-3-7-14-36-15-9-10-17-38-30(45)26(20-27(33)42)41-28(43)19-22-21-40-25-12-6-5-11-23(22)25/h5-6,11-12,21,24,26,36,40H,1-4,7-10,13-20,32H2,(H2,33,42)(H,37,44)(H,38,45)(H,41,43)(H4,34,35,39)/t24-,26+/m1/s1
    MOLECULAR FORMULA
    C31H52N10O4
    CROSS REFERENCES
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    canSAR1091169

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.42
    AlogP 0.21
    HBond donors 13
    HBond acceptors 14
    Atoms 97
    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 canSAR1091169.