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canSAR845141
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NAMES
    SMILES
    CC[C@@H](CNCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1c[nH]cn1
    InChI
    InChI=1S/C17H22ClN3/c1-2-13(15-7-16(15)17-10-20-11-21-17)9-19-8-12-3-5-14(18)6-4-12/h3-6,10-11,13,15-16,19H,2,7-9H2,1H3,(H,20,21)/t13-,15+,16-/m0/s1
    MOLECULAR FORMULA
    C17H22ClN3
    CROSS REFERENCES
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    canSAR845141

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 303.15
    AlogP 3.98
    HBond donors 2
    HBond acceptors 3
    Atoms 43
    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 canSAR845141.