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canSAR846995
FEATURES
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NAMES
    SMILES
    CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12
    InChI
    InChI=1S/C22H31NO5S/c1-4-14-11-18-15(12-20(14)28-29(23,25)26)5-6-17-16(18)9-10-22(3)19(17)7-8-21(22)27-13(2)24/h11-12,16-17,19,21H,4-10H2,1-3H3,(H2,23,25,26)/t16-,17+,19-,21-,22-/m0/s1
    MOLECULAR FORMULA
    C22H31NO5S
    CROSS REFERENCES
    846995 logo

    canSAR846995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.19
    AlogP 3.62
    HBond donors 2
    HBond acceptors 6
    Atoms 60
    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 canSAR846995.