canSAR1603273
FEATURES
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NAMES
    SMILES
    CCc1cc2c(-c3cncc(C)c3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCS(=O)(=O)CC3)c2[nH]c1=O
    InChI
    InChI=1S/C27H35N5O4S/c1-3-19-11-21-22(20-10-17(2)12-29-13-20)14-30-26(25(21)32-27(19)33)31-23-4-7-28-15-24(23)36-16-18-5-8-37(34,35)9-6-18/h10-14,18,23-24,28H,3-9,15-16H2,1-2H3,(H,30,31)(H,32,33)/t23-,24-/m1/s1
    MOLECULAR FORMULA
    C27H35N5O4S
    CROSS REFERENCES
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    canSAR1603273
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight525.24
    AlogP2.84
    HBond donors3
    HBond acceptors9
    Atoms72
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1603273.