General Information of the Compound
| Compound ID |
CP0497617
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| Compound Name |
US9249085, I(a)
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| Structure |
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| Formula |
C21H17F2NO3
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| Molecular Weight |
369.367
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| Canonical SMILES |
OC(=O)COc1cccc(NCc2cc(ccc2F)-c2cccc(F)c2)c1
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| InChI |
InChI=1S/C21H17F2NO3/c22-17-4-1-3-14(10-17)15-7-8-20(23)16(9-15)12-24-18-5-2-6-19(11-18)27-13-21(25)26/h1-11,24H,12-13H2,(H,25,26)
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| InChIKey |
GEEPKOBTNVSZJG-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