canSAR1417142
FEATURES
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NAMES
    SMILES
    CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N2/C1=N/C1CCCCC1.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C26H34N4O4.C2HF3O2/c1-4-28-16-19-20-21(23(32)29(22(20)31)15-17-11-7-5-8-12-17)26(2,24(33)34-3)30(19)25(28)27-18-13-9-6-10-14-18;3-2(4,5)1(6)7/h5,7-8,11-12,18-21H,4,6,9-10,13-16H2,1-3H3;(H,6,7)/b27-25+;/t19-,20+,21-,26-;/m1./s1
    MOLECULAR FORMULA
    C28H35F3N4O6
    CROSS REFERENCES
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    canSAR1417142
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight580.25
    AlogP3.06
    HBond donors1
    HBond acceptors10
    Atoms76
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417142.