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canSAR1144660
FEATURES
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NAMES
    SMILES
    O=S(=O)(O)c1ccc(CCNc2nc(C#Cc3ccccc3)nc3c2ncn3[C@H]2[C@H](O)[C@H](O)[C@@H]3C[C@@H]32)cc1
    InChI
    InChI=1S/C27H25N5O5S/c33-24-20-14-19(20)23(25(24)34)32-15-29-22-26(28-13-12-17-6-9-18(10-7-17)38(35,36)37)30-21(31-27(22)32)11-8-16-4-2-1-3-5-16/h1-7,9-10,15,19-20,23-25,33-34H,12-14H2,(H,28,30,31)(H,35,36,37)/t19-,20+,23+,24+,25-/m0/s1
    MOLECULAR FORMULA
    C27H25N5O5S
    CROSS REFERENCES
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    canSAR1144660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 531.16
    AlogP 2.04
    HBond donors 4
    HBond acceptors 10
    Atoms 63
    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 canSAR1144660.