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canSAR227690
FEATURES
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NAMES
    SMILES
    CC(C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)CC2(CCCCC2)SSC[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O
    InChI
    InChI=1S/C47H73N13O10S2/c1-26(2)37-43(68)55-30(21-28-13-7-5-8-14-28)41(66)59-38(27(3)4)44(69)56-31(22-34(48)61)40(65)57-32(25-71-72-47(23-36(63)58-37)17-9-6-10-18-47)45(70)60-20-12-16-33(60)42(67)54-29(15-11-19-52-46(50)51)39(64)53-24-35(49)62/h5,7-8,13-14,26-27,29-33,37-38H,6,9-12,15-25H2,1-4H3,(H2,48,61)(H2,49,62)(H,53,64)(H,54,67)(H,55,68)(H,56,69)(H,57,65)(H,58,63)(H,59,66)(H4,50,51,52)/t29-,30+,31-,32-,33-,37-,38+/m1/s1
    MOLECULAR FORMULA
    C47H73N13O10S2
    CROSS REFERENCES
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    canSAR227690

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1043.50
    AlogP -1.54
    HBond donors 15
    HBond acceptors 23
    Atoms 145
    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 canSAR227690.