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canSAR112791
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
    InChI
    InChI=1S/C49H69N11O17/c1-24(2)39(58-43(70)32(21-36(51)64)56-47(74)40(26(4)62)59-45(72)35-11-8-18-60(35)48(75)30(50)19-28-12-14-29(63)15-13-28)46(73)52-22-37(65)54-34(23-61)44(71)55-31(16-17-38(66)67)42(69)53-25(3)41(68)57-33(49(76)77)20-27-9-6-5-7-10-27/h5-7,9-10,12-15,24-26,30-35,39-40,61-63H,8,11,16-23,50H2,1-4H3,(H2,51,64)(H,52,73)(H,53,69)(H,54,65)(H,55,71)(H,56,74)(H,57,68)(H,58,70)(H,59,72)(H,66,67)(H,76,77)/t25-,26+,30-,31-,32-,33-,34-,35-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C49H69N11O17
    CROSS REFERENCES
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    canSAR112791

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1083.49
    AlogP -5.12
    HBond donors 17
    HBond acceptors 28
    Atoms 146
    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 canSAR112791.