canSAR1417486
FEATURES
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NAMES
    SMILES
    CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCC(=O)c3ccccc3)N21.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C27H27N3O5S.C2HF3O2/c1-3-27(25(34)35-2)22-21(23(32)29(24(22)33)15-17-10-6-4-7-11-17)19-14-28-26(30(19)27)36-16-20(31)18-12-8-5-9-13-18;3-2(4,5)1(6)7/h4-13,19,21-22H,3,14-16H2,1-2H3;(H,6,7)/t19-,21+,22-,27-;/m1./s1
    MOLECULAR FORMULA
    C29H28F3N3O7S
    CROSS REFERENCES
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    canSAR1417486
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight619.16
    AlogP3.41
    HBond donors1
    HBond acceptors10
    Atoms71
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417486.