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canSAR1093233
FEATURES
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NAMES
    SMILES
    N=C(N)NCC[C@@H](N)C(=O)NCCCCCCCCNCCCCNC(=O)[C@@H](NC(=O)Cc1ccc(O)cc1O)c1cnc[nH]1
    InChI
    InChI=1S/C30H50N10O5/c31-23(11-16-38-30(32)33)28(44)36-14-6-4-2-1-3-5-12-34-13-7-8-15-37-29(45)27(24-19-35-20-39-24)40-26(43)17-21-9-10-22(41)18-25(21)42/h9-10,18-20,23,27,34,41-42H,1-8,11-17,31H2,(H,35,39)(H,36,44)(H,37,45)(H,40,43)(H4,32,33,38)/t23-,27+/m1/s1
    MOLECULAR FORMULA
    C30H50N10O5
    CROSS REFERENCES
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    canSAR1093233

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.40
    AlogP 0.36
    HBond donors 13
    HBond acceptors 15
    Atoms 95
    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 canSAR1093233.