canSAR1632477
FEATURES
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NAMES
    SMILES
    Cc1ncccc1/C=C/C(=O)NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1.O=C(O)C(O)C(O)C(=O)O
    InChI
    InChI=1S/C30H36N4O.C4H6O6/c1-25-26(15-10-19-31-25)16-17-29(35)32-18-8-9-20-33-21-23-34(24-22-33)30(27-11-4-2-5-12-27)28-13-6-3-7-14-28;5-1(3(7)8)2(6)4(9)10/h2-7,10-17,19,30H,8-9,18,20-24H2,1H3,(H,32,35);1-2,5-6H,(H,7,8)(H,9,10)/b17-16+;
    MOLECULAR FORMULA
    C34H42N4O7
    CROSS REFERENCES
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    canSAR1632477
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight618.31
    AlogP2.58
    HBond donors5
    HBond acceptors11
    Atoms87
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1632477.