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canSAR65223
FEATURES
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NAMES
    SMILES
    CCn1cc(C(=O)OCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cc4cccs4)C3SC2)c(=O)c2cc3c(cc21)OCO3
    InChI
    InChI=1S/C27H23N3O9S2/c1-2-29-9-16(23(32)15-7-18-19(8-17(15)29)39-12-38-18)27(36)37-10-13-11-41-25-21(24(33)30(25)22(13)26(34)35)28-20(31)6-14-4-3-5-40-14/h3-5,7-9,21,25H,2,6,10-12H2,1H3,(H,28,31)(H,34,35)/t21-,25?/m1/s1
    MOLECULAR FORMULA
    C27H23N3O9S2
    CROSS REFERENCES
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    canSAR65223

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 597.09
    AlogP 1.95
    HBond donors 2
    HBond acceptors 12
    Atoms 64
    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 canSAR65223.