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canSAR2203135
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NAMES
    SMILES
    CSCCC(=O)N1C[C@H](c2nc(-c3ccc(C(=O)Nc4cc(C5CC5)ccn4)cc3)c3c(N)nccn23)CC[C@@H]1C
    InChI
    InChI=1S/C31H35N7O2S/c1-19-3-4-24(18-38(19)26(39)12-16-41-2)30-36-27(28-29(32)34-14-15-37(28)30)21-7-9-22(10-8-21)31(40)35-25-17-23(11-13-33-25)20-5-6-20/h7-11,13-15,17,19-20,24H,3-6,12,16,18H2,1-2H3,(H2,32,34)(H,33,35,40)/t19-,24+/m0/s1
    MOLECULAR FORMULA
    C31H35N7O2S
    CROSS REFERENCES
    2203135 logo

    canSAR2203135

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 569.26
    AlogP 5.35
    HBond donors 3
    HBond acceptors 9
    Atoms 76
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2203135.