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canSAR783795
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C55H74N20O8/c56-37(26-34-29-63-30-69-34)46(76)70-40(17-8-20-64-53(57)58)47(77)71-41(18-9-21-65-54(59)60)48(78)73-44(25-33-28-68-39-16-7-5-14-36(33)39)51(81)74-43(24-32-27-67-38-15-6-4-13-35(32)38)50(80)72-42(19-10-22-66-55(61)62)49(79)75-45(52(82)83)23-31-11-2-1-3-12-31/h1-7,11-16,27-30,37,40-45,67-68H,8-10,17-26,56H2,(H,63,69)(H,70,76)(H,71,77)(H,72,80)(H,73,78)(H,74,81)(H,75,79)(H,82,83)(H4,57,58,64)(H4,59,60,65)(H4,61,62,66)/t37-,40-,41-,42-,43-,44-,45-/m0/s1
    MOLECULAR FORMULA
    C55H74N20O8
    CROSS REFERENCES
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    canSAR783795

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1142.60
    AlogP -1.25
    HBond donors 24
    HBond acceptors 28
    Atoms 157
    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 canSAR783795.