General Information of the Compound
| Compound ID |
CP0577044
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| Compound Name |
(3-phenyl-3,4-dihydropyrazol-2-yl)-pyridin-3-ylmethanone
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| Structure |
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| Formula |
C15H13N3O
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| Molecular Weight |
251.289
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| Canonical SMILES |
O=C(N1N=CCC1c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C15H13N3O/c19-15(13-7-4-9-16-11-13)18-14(8-10-17-18)12-5-2-1-3-6-12/h1-7,9-11,14H,8H2
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| InChIKey |
SLVDOKPCWYCNDL-UHFFFAOYSA-N
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| CAS |
121306-57-8
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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