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canSAR1522085
FEATURES
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NAMES
    SMILES
    COC(=O)[C@]12CCCCC=C1N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](CC(=O)NCc1cccs1)C2
    InChI
    InChI=1S/C27H30N2O6S/c1-33-26(32)27-10-4-2-3-7-23(27)29(16-18-8-9-21-22(12-18)35-17-34-21)25(31)19(14-27)13-24(30)28-15-20-6-5-11-36-20/h5-9,11-12,19H,2-4,10,13-17H2,1H3,(H,28,30)/t19-,27+/m1/s1
    MOLECULAR FORMULA
    C27H30N2O6S
    CROSS REFERENCES
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    canSAR1522085

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.18
    AlogP 4.15
    HBond donors 1
    HBond acceptors 8
    Atoms 66
    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 canSAR1522085.