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canSAR78229
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)OCc1ccccc1
    InChI
    InChI=1S/C89H120N20O17S/c1-55(2)47-67(76(112)101-66(40-46-127-4)85(121)124-3)102-79(115)70(50-60-52-98-62-34-18-17-33-61(60)62)105-78(114)69(49-57-27-11-6-12-28-57)104-77(113)68(48-56-25-9-5-10-26-56)103-75(111)63(36-21-42-95-86(91)92)99-80(116)71(51-74(90)110)106-82(118)73-39-24-44-108(73)83(119)64(35-19-20-41-97-88(122)125-53-58-29-13-7-14-30-58)100-81(117)72-38-23-45-109(72)84(120)65(37-22-43-96-87(93)94)107-89(123)126-54-59-31-15-8-16-32-59/h5-18,25-34,52,55,63-73,98H,19-24,35-51,53-54H2,1-4H3,(H2,90,110)(H,97,122)(H,99,116)(H,100,117)(H,101,112)(H,102,115)(H,103,111)(H,104,113)(H,105,114)(H,106,118)(H,107,123)(H4,91,92,95)(H4,93,94,96)/t63-,64-,65-,66-,67-,68+,69-,70+,71-,72-,73-/m0/s1
    MOLECULAR FORMULA
    C89H120N20O17S
    CROSS REFERENCES
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    canSAR78229

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1772.89
    AlogP 2.40
    HBond donors 21
    HBond acceptors 37
    Atoms 247
    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 canSAR78229.