canSAR546206
FEATURES
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NAMES
    SMILES
    CC(CC[C@H](SCCCC(C)(C)O)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1)CC(=O)[O-].[Na+]
    InChI
    InChI=1S/C30H36ClNO3S.Na/c1-21(18-29(33)34)8-15-28(36-17-5-16-30(2,3)35)24-7-4-6-22(19-24)9-13-26-14-11-23-10-12-25(31)20-27(23)32-26;/h4,6-7,9-14,19-21,28,35H,5,8,15-18H2,1-3H3,(H,33,34);/q;+1/p-1/b13-9+;/t21?,28-;/m0./s1
    MOLECULAR FORMULA
    C30H35ClNNaO3S
    CROSS REFERENCES
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    canSAR546206
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight547.19
    AlogP3.94
    HBond donors1
    HBond acceptors4
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546206.