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canSAR843269
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NAMES
    SMILES
    NC1=N[C@]23CCCN2C(=O)c2cc(Br)c(-c4ccccc4)n2[C@@H]3N1
    InChI
    InChI=1S/C17H16BrN5O/c18-11-9-12-14(24)22-8-4-7-17(22)15(20-16(19)21-17)23(12)13(11)10-5-2-1-3-6-10/h1-3,5-6,9,15H,4,7-8H2,(H3,19,20,21)/t15-,17+/m0/s1
    MOLECULAR FORMULA
    C17H16BrN5O
    CROSS REFERENCES
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    canSAR843269

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 385.05
    AlogP 2.28
    HBond donors 3
    HBond acceptors 6
    Atoms 40
    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 canSAR843269.