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canSAR1125910
FEATURES
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NAMES
    SMILES
    CC1=C2[C@H]3OC(=O)C4(C[C@H](c5cccc([N+](=O)[O-])c5)N(c5ccccc5)O4)[C@@H]3CC[C@@]2(C)C=CC1=O
    InChI
    InChI=1S/C28H26N2O6/c1-17-23(31)12-14-27(2)13-11-21-25(24(17)27)35-26(32)28(21)16-22(18-7-6-10-20(15-18)30(33)34)29(36-28)19-8-4-3-5-9-19/h3-10,12,14-15,21-22,25H,11,13,16H2,1-2H3/t21-,22-,25+,27+,28?/m1/s1
    MOLECULAR FORMULA
    C28H26N2O6
    CROSS REFERENCES
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    canSAR1125910

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.18
    AlogP 5.01
    HBond donors 0
    HBond acceptors 8
    Atoms 62
    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 canSAR1125910.