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canSAR653972
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](Sc2c(F)c(F)c(-c3c4nc(c(-c5c(F)c(F)c(F)c(F)c5F)c5ccc([nH]5)c(-c5c(F)c(F)c(S[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c(F)c5F)c5nc(c(-c6c(F)c(F)c(F)c(F)c6F)c6ccc3[nH]6)C=C5)C=C4)c(F)c2F)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C56H32F18N4O10S2/c57-29-25(30(58)38(66)41(69)37(29)65)21-11-1-5-15(75-11)23(27-33(61)43(71)53(44(72)34(27)62)89-55-51(85)49(83)47(81)19(9-79)87-55)16-7-3-13(77-16)22(26-31(59)39(67)42(70)40(68)32(26)60)14-4-8-18(78-14)24(17-6-2-12(21)76-17)28-35(63)45(73)54(46(74)36(28)64)90-56-52(86)50(84)48(82)20(10-80)88-56/h1-8,19-20,47-52,55-56,75,78-86H,9-10H2/b21-11+,21-12+,22-13+,22-14+,23-15+,23-16+,24-17+,24-18+/t19-,20-,47-,48-,49+,50+,51-,52-,55+,56+/m1/s1
    MOLECULAR FORMULA
    C56H32F18N4O10S2
    CROSS REFERENCES
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    canSAR653972

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1326.13
    AlogP 9.61
    HBond donors 10
    HBond acceptors 14
    Atoms 122
    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 canSAR653972.