canSAR632995
FEATURES
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NAMES
    SMILES
    CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O
    InChI
    InChI=1S/C53H85N9O18/c1-32(63)57-37(24-26-41(66)77-50(2,3)4)45(70)60-38(25-27-42(67)78-51(5,6)7)46(71)61-39(30-33-20-22-34(23-21-33)62(75)76)47(72)59-36(19-15-17-29-55-49(74)80-53(11,12)13)44(69)58-35(43(68)56-31-40(64)65)18-14-16-28-54-48(73)79-52(8,9)10/h20-23,35-39H,14-19,24-31H2,1-13H3,(H,54,73)(H,55,74)(H,56,68)(H,57,63)(H,58,69)(H,59,72)(H,60,70)(H,61,71)(H,64,65)
    MOLECULAR FORMULA
    C53H85N9O18
    CROSS REFERENCES
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    canSAR632995
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1135.60
    AlogP3.42
    HBond donors9
    HBond acceptors27
    Atoms165
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR632995.