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canSAR1829174
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)OCc2ccc3nsnc3c2)N2C(=O)[C@@H](NC(=O)OCc3ccc4nsnc4c3)[C@H]2SC1
    InChI
    InChI=1S/C23H18N6O5S3/c1-11-10-35-21-18(24-23(32)34-9-13-3-5-15-17(7-13)28-37-26-15)20(30)29(21)19(11)22(31)33-8-12-2-4-14-16(6-12)27-36-25-14/h2-7,18,21H,8-10H2,1H3,(H,24,32)/t18-,21-/m1/s1
    MOLECULAR FORMULA
    C23H18N6O5S3
    CROSS REFERENCES
    1829174 logo

    canSAR1829174

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.05
    AlogP 3.22
    HBond donors 1
    HBond acceptors 11
    Atoms 55
    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 canSAR1829174.