General Information of the Compound
| Compound ID |
CP0579413
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| Compound Name |
[(3S)-3-(3,5-difluorophenyl)-3,4-dihydropyrazol-2-yl]-(3-phenoxyazetidin-1-yl)methanone
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| Formula |
C19H17F2N3O2
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| Molecular Weight |
357.36
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| Canonical SMILES |
Fc1cc(F)cc(c1)[C@@H]1CC=NN1C(=O)N1CC(C1)Oc1ccccc1
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| InChI |
InChI=1S/C19H17F2N3O2/c20-14-8-13(9-15(21)10-14)18-6-7-22-24(18)19(25)23-11-17(12-23)26-16-4-2-1-3-5-16/h1-5,7-10,17-18H,6,11-12H2/t18-/m0/s1
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| InChIKey |
JVSBYXYAOLKQGW-SFHVURJKSA-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