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canSAR1203949
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NAMES
    SMILES
    C=C[C@]1(C)C[C@@H](OC(=O)CSc2cncc(/C=N/O)c2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
    InChI
    InChI=1S/C28H38N2O5S/c1-6-26(4)12-22(35-23(32)16-36-20-11-19(14-30-34)13-29-15-20)27(5)17(2)7-9-28(18(3)25(26)33)10-8-21(31)24(27)28/h6,11,13-15,17-18,22,24-25,33-34H,1,7-10,12,16H2,2-5H3/b30-14+/t17-,18+,22-,24+,25+,26-,27+,28+/m1/s1
    MOLECULAR FORMULA
    C28H38N2O5S
    CROSS REFERENCES
    1203949 logo

    canSAR1203949

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.25
    AlogP 4.89
    HBond donors 2
    HBond acceptors 7
    Atoms 74
    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 canSAR1203949.