General Information of the Compound
| Compound ID |
CP0491826
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| Compound Name |
(E)-3-phenyl-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
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| Structure |
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| Formula |
C20H19N3O
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| Molecular Weight |
317.392
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| Canonical SMILES |
C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)-n1cccn1
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| InChI |
InChI=1S/C20H19N3O/c1-16(22-20(24)12-11-17-7-3-2-4-8-17)18-9-5-10-19(15-18)23-14-6-13-21-23/h2-16H,1H3,(H,22,24)/b12-11+/t16-/m0/s1
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| InChIKey |
SWFAVHKZUYCOJU-PCUGXKRQSA-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