General Information of the Compound
| Compound ID |
CP0554662
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| Compound Name |
US9249085, I(as) (+ isomer)
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| Structure |
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| Formula |
C22H17F4NO3
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| Molecular Weight |
419.374
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| Canonical SMILES |
C[C@@H](Nc1c(F)ccc(OCC(O)=O)c1F)c1cc(ccc1F)-c1cccc(F)c1
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| InChI |
InChI=1S/C22H17F4NO3/c1-12(27-22-18(25)7-8-19(21(22)26)30-11-20(28)29)16-10-14(5-6-17(16)24)13-3-2-4-15(23)9-13/h2-10,12,27H,11H2,1H3,(H,28,29)/t12-/m1/s1
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| InChIKey |
ZVLBYOJGKRWUDA-GFCCVEGCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound