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canSAR548771
FEATURES
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NAMES
    SMILES
    CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CCCCC2)cc(N2CCCCS2(=O)=O)c1.O=CO
    InChI
    InChI=1S/C29H42N4O4S.CH2O2/c1-2-30-25-18-23(19-26(20-25)33-15-9-10-16-38(33,36)37)29(35)32-27(17-22-11-5-3-6-12-22)28(34)21-31-24-13-7-4-8-14-24;2-1-3/h3,5-6,11-12,18-20,24,27-28,30-31,34H,2,4,7-10,13-17,21H2,1H3,(H,32,35);1H,(H,2,3)/t27-,28+;/m0./s1
    MOLECULAR FORMULA
    C30H44N4O6S
    CROSS REFERENCES
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    canSAR548771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.30
    AlogP 3.37
    HBond donors 5
    HBond acceptors 10
    Atoms 85
    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 canSAR548771.