General Information of the Compound
| Compound ID |
CP0486645
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| Compound Name |
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazin-2-ylphenyl)ethyl]prop-2-enamide
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| Structure |
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| Formula |
C21H18FN3O
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| Molecular Weight |
347.393
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| Canonical SMILES |
C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(c1)-c1cnccn1
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| InChI |
InChI=1S/C21H18FN3O/c1-15(25-21(26)10-9-16-5-2-3-8-19(16)22)17-6-4-7-18(13-17)20-14-23-11-12-24-20/h2-15H,1H3,(H,25,26)/b10-9+/t15-/m0/s1
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| InChIKey |
SRDZBCSIQDVOKY-FEAKQIBJSA-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