General Information of the Compound
| Compound ID |
CP0519205
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| Compound Name |
US9249085, I(j)
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| Structure |
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| Formula |
C23H21F2NO3
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| Molecular Weight |
397.421
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| Canonical SMILES |
Cc1ccc(OCC(O)=O)c(C)c1NCc1cc(ccc1F)-c1cccc(F)c1
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| InChI |
InChI=1S/C23H21F2NO3/c1-14-6-9-21(29-13-22(27)28)15(2)23(14)26-12-18-10-17(7-8-20(18)25)16-4-3-5-19(24)11-16/h3-11,26H,12-13H2,1-2H3,(H,27,28)
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| InChIKey |
CLMWSKDETXLTLV-UHFFFAOYSA-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