canSAR610922
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)c2sc(-n3nc(-c4ccccc4)cc3-c3ccccc3)nc2C)ccc1O
    InChI
    InChI=1S/C29H23N3O3S/c1-19-28(26(34)16-14-20-13-15-25(33)27(17-20)35-2)36-29(30-19)32-24(22-11-7-4-8-12-22)18-23(31-32)21-9-5-3-6-10-21/h3-18,33H,1-2H3/b16-14+
    MOLECULAR FORMULA
    C29H23N3O3S
    CROSS REFERENCES
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    canSAR610922
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight493.15
    AlogP6.58
    HBond donors1
    HBond acceptors6
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR610922.