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canSAR1123481
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NAMES
    SMILES
    CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(OC(=O)CCC(=O)C2=C(C)/C(=C/c3[nH]c(-c4ccc[nH]4)cc3OC)N=C2C)cc1)c1ccccc1
    InChI
    InChI=1S/C46H48N4O5/c1-7-37(32-12-9-8-10-13-32)46(33-15-19-35(20-16-33)54-27-26-50(4)5)34-17-21-36(22-18-34)55-44(52)24-23-42(51)45-30(2)39(48-31(45)3)28-41-43(53-6)29-40(49-41)38-14-11-25-47-38/h8-22,25,28-29,47,49H,7,23-24,26-27H2,1-6H3/b39-28-,46-37+
    MOLECULAR FORMULA
    C46H48N4O5
    CROSS REFERENCES
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    canSAR1123481

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 736.36
    AlogP 9.41
    HBond donors 2
    HBond acceptors 9
    Atoms 103
    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 canSAR1123481.