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canSAR1156922
FEATURES
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NAMES
    SMILES
    C[C@H](CCC(=O)Nc1ccccc1S(N)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
    InChI
    InChI=1S/C30H46N2O5S/c1-18(8-13-28(35)32-25-6-4-5-7-26(25)38(31,36)37)22-11-12-23-21-10-9-19-16-20(33)14-15-29(19,2)24(21)17-27(34)30(22,23)3/h4-7,18-24,27,33-34H,8-17H2,1-3H3,(H,32,35)(H2,31,36,37)/t18-,19-,20-,21+,22-,23+,24+,27+,29+,30-/m1/s1
    MOLECULAR FORMULA
    C30H46N2O5S
    CROSS REFERENCES
    1156922 logo

    canSAR1156922

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 546.31
    AlogP 4.68
    HBond donors 5
    HBond acceptors 7
    Atoms 84
    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 canSAR1156922.