General Information of the Compound
| Compound ID |
CP0462097
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| Compound Name |
(E)-3-(2-fluorophenyl)-N-[(1S)-1-[3-(6-fluoropyridin-3-yl)phenyl]ethyl]prop-2-enamide
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| Structure |
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| Formula |
C22H18F2N2O
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| Molecular Weight |
364.395
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| Canonical SMILES |
C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(c1)-c1ccc(F)nc1
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| InChI |
InChI=1S/C22H18F2N2O/c1-15(26-22(27)12-10-16-5-2-3-8-20(16)23)17-6-4-7-18(13-17)19-9-11-21(24)25-14-19/h2-15H,1H3,(H,26,27)/b12-10+/t15-/m0/s1
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| InChIKey |
UZXOICNXSPXWIT-PABFRNLHSA-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