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canSAR837717
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NAMES
    SMILES
    CC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)CN(C)CC3)C1
    InChI
    InChI=1S/C24H27ClN6O3S/c1-13(32)31-8-6-17(27-22(33)19-10-14-9-15(25)3-4-16(14)26-19)20(11-31)28-23(34)24-29-18-5-7-30(2)12-21(18)35-24/h3-4,9-10,17,20,26H,5-8,11-12H2,1-2H3,(H,27,33)(H,28,34)/t17-,20+/m0/s1
    MOLECULAR FORMULA
    C24H27ClN6O3S
    CROSS REFERENCES
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    canSAR837717

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 514.16
    AlogP 2.41
    HBond donors 3
    HBond acceptors 9
    Atoms 62
    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 canSAR837717.