General Information of the Compound
| Compound ID |
CP0462157
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| Compound Name |
(E)-3-(2,5-difluorophenyl)-N-[(1R)-1-(3-pyridin-4-yloxyphenyl)ethyl]prop-2-enamide
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| Structure |
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| Formula |
C22H18F2N2O2
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| Molecular Weight |
380.394
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| Canonical SMILES |
C[C@@H](NC(=O)\C=C\c1cc(F)ccc1F)c1cccc(Oc2ccncc2)c1
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| InChI |
InChI=1S/C22H18F2N2O2/c1-15(26-22(27)8-5-17-13-18(23)6-7-21(17)24)16-3-2-4-20(14-16)28-19-9-11-25-12-10-19/h2-15H,1H3,(H,26,27)/b8-5+/t15-/m1/s1
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| InChIKey |
NVCQLCFDFSLHPE-SBJJXXPASA-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