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canSAR201560
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O
    InChI
    InChI=1S/C46H72N10O15/c1-10-24(6)37(44(68)52-30(19-33(47)59)41(65)51-31(20-35(61)62)42(66)53-32(46(70)71)18-22(2)3)56-43(67)36(23(4)5)55-45(69)38(26(8)57)54-34(60)21-48-39(63)25(7)49-40(64)29(50-27(9)58)17-16-28-14-12-11-13-15-28/h11-15,22-26,29-32,36-38,57H,10,16-21H2,1-9H3,(H2,47,59)(H,48,63)(H,49,64)(H,50,58)(H,51,65)(H,52,68)(H,53,66)(H,54,60)(H,55,69)(H,56,67)(H,61,62)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,36+,37+,38+/m1/s1
    MOLECULAR FORMULA
    C46H72N10O15
    CROSS REFERENCES
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    canSAR201560

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1004.52
    AlogP -2.78
    HBond donors 14
    HBond acceptors 25
    Atoms 143
    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 canSAR201560.