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canSAR1525791
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2cc(ccn2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)N1
    InChI
    InChI=1S/C31H45N5O4S2/c1-5-6-7-8-9-13-26(38)41-16-11-10-12-23-18-25(37)33-19-24-17-22(14-15-32-24)29-36-31(4,20-42-29)30(40)35-27(21(2)3)28(39)34-23/h10,12,14-15,17,21,23,27H,5-9,11,13,16,18-20H2,1-4H3,(H,33,37)(H,34,39)(H,35,40)/b12-10+/t23-,27+,31+/m1/s1
    MOLECULAR FORMULA
    C31H45N5O4S2
    CROSS REFERENCES
    1525791 logo

    canSAR1525791

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 615.29
    AlogP 4.55
    HBond donors 3
    HBond acceptors 9
    Atoms 87
    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 canSAR1525791.