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canSAR1528757
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)CC=CC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
    InChI
    InChI=1S/C31H43N11O5/c32-26(44)21-8-3-4-9-22(39-25(43)13-15-38-31(35)36)27(45)41-23(10-5-14-37-30(33)34)28(46)42-24(29(47)40-21)17-18-11-12-19-6-1-2-7-20(19)16-18/h1-4,6-7,11-12,16,21-24H,5,8-10,13-15,17H2,(H2,32,44)(H,39,43)(H,40,47)(H,41,45)(H,42,46)(H4,33,34,37)(H4,35,36,38)/t21-,22+,23+,24+/m1/s1
    MOLECULAR FORMULA
    C31H43N11O5
    CROSS REFERENCES
    1528757 logo

    canSAR1528757

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 649.34
    AlogP -1.71
    HBond donors 14
    HBond acceptors 16
    Atoms 90
    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 canSAR1528757.