canSAR417642
FEATURES
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NAMES
    SMILES
    CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(SCSc3cc(N)nc(N)n3)CSC12)c1csc(N)n1
    InChI
    InChI=1S/C18H19N9O5S4/c1-32-26-10(6-3-34-18(21)22-6)13(28)25-11-14(29)27-12(16(30)31)7(4-33-15(11)27)35-5-36-9-2-8(19)23-17(20)24-9/h2-3,11,15H,4-5H2,1H3,(H2,21,22)(H,25,28)(H,30,31)(H4,19,20,23,24)/b26-10-
    MOLECULAR FORMULA
    C18H19N9O5S4
    CROSS REFERENCES
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    canSAR417642
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight569.04
    AlogP0.21
    HBond donors8
    HBond acceptors14
    Atoms55
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR417642.