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canSAR500352
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CS)C(=O)O
    InChI
    InChI=1S/C44H60N6O12S/c1-4-25(2)37(42(59)47-31(22-27-14-8-5-9-15-27)40(57)48-33(24-63)44(61)62)49-43(60)38(36(28-16-10-6-11-17-28)29-18-12-7-13-19-29)50-39(56)30(20-21-34(52)53)46-41(58)32(23-35(54)55)45-26(3)51/h6-7,10-13,16-19,25,27,30-33,36-38,63H,4-5,8-9,14-15,20-24H2,1-3H3,(H,45,51)(H,46,58)(H,47,59)(H,48,57)(H,49,60)(H,50,56)(H,52,53)(H,54,55)(H,61,62)/t25-,30+,31+,32+,33-,37-,38+/m1/s1
    MOLECULAR FORMULA
    C44H60N6O12S
    CROSS REFERENCES
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    canSAR500352

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 896.40
    AlogP 2.12
    HBond donors 9
    HBond acceptors 18
    Atoms 123
    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 canSAR500352.