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canSAR830054
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H](NC(=O)[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC1(C)C)C(N)=O
    InChI
    InChI=1S/C49H68N12O10S2/c1-27(62)37(40(51)64)59-47(71)39-49(3,4)73-72-26-36(58-41(65)32(50)23-29-15-8-5-9-16-29)45(69)57-35(25-31-19-12-7-13-20-31)44(68)56-34(24-30-17-10-6-11-18-30)43(67)55-33(21-14-22-54-48(52)53)42(66)60-38(28(2)63)46(70)61-39/h5-13,15-20,27-28,32-39,62-63H,14,21-26,50H2,1-4H3,(H2,51,64)(H,55,67)(H,56,68)(H,57,69)(H,58,65)(H,59,71)(H,60,66)(H,61,70)(H4,52,53,54)/t27-,28-,32-,33+,34+,35+,36+,37+,38-,39+/m1/s1
    MOLECULAR FORMULA
    C49H68N12O10S2
    CROSS REFERENCES
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    canSAR830054

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1048.46
    AlogP -2.09
    HBond donors 17
    HBond acceptors 22
    Atoms 141
    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 canSAR830054.