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canSAR1207255
FEATURES
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NAMES
    SMILES
    CCCCCCCCCCCCCCCCCC(=O)NC(C)C(=O)NC[C@@H]1NC(=O)[C@@H](C(=O)O)NC(=O)[C@@H](O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)C(C(O)C(O)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC1=O
    InChI
    InChI=1S/C47H82N10O17/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(61)51-26(4)39(65)49-22-28-40(66)53-29(24-58)41(67)54-32(25(2)3)44(70)56-34(36(62)37(63)38(48)64)45(71)55-33(27(5)59)43(69)50-23-30(60)42(68)57-35(47(73)74)46(72)52-28/h25-30,32-37,58-60,62-63H,6-24H2,1-5H3,(H2,48,64)(H,49,65)(H,50,69)(H,51,61)(H,52,72)(H,53,66)(H,54,67)(H,55,71)(H,56,70)(H,57,68)(H,73,74)/t26?,27-,28+,29+,30+,32+,33+,34?,35+,36?,37?/m1/s1
    MOLECULAR FORMULA
    C47H82N10O17
    CROSS REFERENCES
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    canSAR1207255

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1058.59
    AlogP -4.41
    HBond donors 17
    HBond acceptors 27
    Atoms 156
    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 canSAR1207255.