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canSAR152817
FEATURES
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NAMES
    SMILES
    C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1)C(=O)N[C@@H](CCCCN)C(=O)O
    InChI
    InChI=1S/C37H56N12O8/c1-20(31(51)48-26(36(56)57)10-4-5-15-38)44-34(54)29-12-7-17-49(29)35(55)25(11-6-16-42-37(40)41)47-32(52)24(13-14-30(39)50)46-33(53)27-18-22-21-8-2-3-9-23(21)45-28(22)19-43-27/h2-3,8-9,20,24-27,29,43,45H,4-7,10-19,38H2,1H3,(H2,39,50)(H,44,54)(H,46,53)(H,47,52)(H,48,51)(H,56,57)(H4,40,41,42)/t20-,24-,25-,26-,27-,29-/m0/s1
    MOLECULAR FORMULA
    C37H56N12O8
    CROSS REFERENCES
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    canSAR152817

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 796.43
    AlogP -2.33
    HBond donors 15
    HBond acceptors 20
    Atoms 113
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR152817.