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canSAR1126257
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)C[C@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C31H50N8O8/c1-18(2)26(24(40)16-20(30(46)47)15-19-9-4-3-5-10-19)39-29(45)23(17-25(41)42)38-28(44)22(12-6-7-13-32)37-27(43)21(33)11-8-14-36-31(34)35/h3-5,9-10,18,20-23,26H,6-8,11-17,32-33H2,1-2H3,(H,37,43)(H,38,44)(H,39,45)(H,41,42)(H,46,47)(H4,34,35,36)/t20-,21-,22-,23-,26-/m0/s1
    MOLECULAR FORMULA
    C31H50N8O8
    CROSS REFERENCES
    1126257 logo

    canSAR1126257

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 662.38
    AlogP -1.02
    HBond donors 13
    HBond acceptors 16
    Atoms 97
    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 canSAR1126257.