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canSAR2049832
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NAMES
    SMILES
    C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](OCc1cn(-c2ccccc2Cl)nn1)c1ccnc2ccc(OC)cc12
    InChI
    InChI=1S/C29H30ClN5O2/c1-3-19-16-34-13-11-20(19)14-28(34)29(23-10-12-31-26-9-8-22(36-2)15-24(23)26)37-18-21-17-35(33-32-21)27-7-5-4-6-25(27)30/h3-10,12,15,17,19-20,28-29H,1,11,13-14,16,18H2,2H3/t19-,20-,28+,29+/m0/s1
    MOLECULAR FORMULA
    C29H30ClN5O2
    CROSS REFERENCES
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    canSAR2049832

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 515.21
    AlogP 5.63
    HBond donors 0
    HBond acceptors 7
    Atoms 67
    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 canSAR2049832.