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canSAR654653
FEATURES
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NAMES
    SMILES
    CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)/C=C/c1ccco1)C(N)=O
    InChI
    InChI=1S/C42H68N10O5S/c1-29(2)12-6-13-30(3)14-7-15-31(4)16-8-17-32(5)23-27-58-28-36(38(43)54)52-40(56)35(20-10-25-49-42(46)47)51-39(55)34(19-9-24-48-41(44)45)50-37(53)22-21-33-18-11-26-57-33/h11-12,14,16,18,21-23,26,34-36H,6-10,13,15,17,19-20,24-25,27-28H2,1-5H3,(H2,43,54)(H,50,53)(H,51,55)(H,52,56)(H4,44,45,48)(H4,46,47,49)/b22-21+,30-14+,31-16+,32-23+/t34-,35-,36-/m0/s1
    MOLECULAR FORMULA
    C42H68N10O5S
    CROSS REFERENCES
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    canSAR654653

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 824.51
    AlogP 4.64
    HBond donors 13
    HBond acceptors 15
    Atoms 126
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR654653.