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canSAR498701
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NAMES
    SMILES
    CN(C)CCCN1C(=O)[C@H](c2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=S
    InChI
    InChI=1S/C28H29N7OS/c1-33(2)17-8-18-34-27(36)25(22-9-4-3-5-10-22)35(28(34)37)19-20-13-15-21(16-14-20)23-11-6-7-12-24(23)26-29-31-32-30-26/h3-7,9-16,25H,8,17-19H2,1-2H3,(H,29,30,31,32)/t25-/m0/s1
    MOLECULAR FORMULA
    C28H29N7OS
    CROSS REFERENCES
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    canSAR498701

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 511.22
    AlogP 4.16
    HBond donors 1
    HBond acceptors 8
    Atoms 66
    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 canSAR498701.