1119321 logo
canSAR1119321
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1CCCN1c1c2nc(c(-c3ccccc3)c3ccc([nH]3)c(N3CCCC3=O)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2
    InChI
    InChI=1S/C40H32N6O2/c47-35-13-7-23-45(35)39-31-19-15-27(41-31)37(25-9-3-1-4-10-25)28-16-20-32(42-28)40(46-24-8-14-36(46)48)34-22-18-30(44-34)38(26-11-5-2-6-12-26)29-17-21-33(39)43-29/h1-6,9-12,15-22,41,44H,7-8,13-14,23-24H2/b37-27-,37-28-,38-29-,38-30-,39-31+,39-33+,40-32+,40-34+
    MOLECULAR FORMULA
    C40H32N6O2
    CROSS REFERENCES
    1119321 logo

    canSAR1119321

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.26
    AlogP 8.24
    HBond donors 2
    HBond acceptors 8
    Atoms 80
    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 canSAR1119321.