canSAR816692
FEATURES
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NAMES
    SMILES
    C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(NC(C)C)n3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](O)C(C)(C)C)C(=O)O
    InChI
    InChI=1S/C33H41N5O7S/c1-8-18-14-33(18,30(42)43)37-28(40)25-12-20(15-38(25)29(41)27(39)32(4,5)6)45-26-13-23(24-16-46-31(36-24)34-17(2)3)35-22-11-19(44-7)9-10-21(22)26/h8-11,13,16-18,20,25,27,39H,1,12,14-15H2,2-7H3,(H,34,36)(H,37,40)(H,42,43)/t18-,20-,25+,27-,33-/m1/s1
    MOLECULAR FORMULA
    C33H41N5O7S
    CROSS REFERENCES
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    canSAR816692
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight651.27
    AlogP4.09
    HBond donors4
    HBond acceptors12
    Atoms87
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR816692.