canSAR1531731
FEATURES
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NAMES
    SMILES
    COc1nccc(NC(=O)c2cc3c(OCCC4CCCC[NH2+]4)c(-c4cc(C)cc(C)c4)c(=O)[nH]c3cc2Cl)n1
    InChI
    InChI=1S/C30H32ClN5O4/c1-17-12-18(2)14-19(13-17)26-27(40-11-8-20-6-4-5-9-32-20)22-15-21(23(31)16-24(22)34-29(26)38)28(37)35-25-7-10-33-30(36-25)39-3/h7,10,12-16,20,32H,4-6,8-9,11H2,1-3H3,(H,34,38)(H,33,35,36,37)/p+1
    MOLECULAR FORMULA
    C30H33ClN5O4+
    CROSS REFERENCES
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    canSAR1531731
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight562.22
    AlogP4.40
    HBond donors4
    HBond acceptors9
    Atoms73
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1531731.