canSAR820688
FEATURES
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NAMES
    SMILES
    CC1=C2C[C@H]3[C@@H](CC[C@@H]4Cc5nn(S(C)(=O)=O)cc5C[C@]34C)[C@@H]2CC[C@@]2(C1)O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C
    InChI
    InChI=1S/C30H45N3O3S/c1-17-10-27-28(31-15-17)19(3)30(36-27)9-8-22-23-7-6-21-11-26-20(16-33(32-26)37(5,34)35)14-29(21,4)25(23)12-24(22)18(2)13-30/h16-17,19,21-23,25,27-28,31H,6-15H2,1-5H3/t17-,19+,21+,22-,23-,25-,27+,28-,29-,30-/m0/s1
    MOLECULAR FORMULA
    C30H45N3O3S
    CROSS REFERENCES
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    canSAR820688
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight527.32
    AlogP4.73
    HBond donors1
    HBond acceptors6
    Atoms82
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR820688.