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canSAR2002492
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NAMES
    SMILES
    CCOCCOc1cc2c(ccn2C(=O)NC)cc1Oc1ccnc(NC(=O)c2ccc(CN3C[C@H](C)N[C@H](C)C3)cc2)c1
    InChI
    InChI=1S/C33H40N6O5/c1-5-42-14-15-43-29-18-28-26(11-13-39(28)33(41)34-4)16-30(29)44-27-10-12-35-31(17-27)37-32(40)25-8-6-24(7-9-25)21-38-19-22(2)36-23(3)20-38/h6-13,16-18,22-23,36H,5,14-15,19-21H2,1-4H3,(H,34,41)(H,35,37,40)/t22-,23+
    MOLECULAR FORMULA
    C33H40N6O5
    CROSS REFERENCES
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    canSAR2002492

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 600.31
    AlogP 4.87
    HBond donors 3
    HBond acceptors 11
    Atoms 84
    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 canSAR2002492.