General Information of the Compound
| Compound ID |
CP0557067
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| Compound Name |
phenyl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
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| Structure |
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| Formula |
C16H14N2O
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| Molecular Weight |
250.301
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| Canonical SMILES |
O=C(N1N=CCC1c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C16H14N2O/c19-16(14-9-5-2-6-10-14)18-15(11-12-17-18)13-7-3-1-4-8-13/h1-10,12,15H,11H2
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| InChIKey |
VATSZXIZOIMIAN-UHFFFAOYSA-N
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| CAS |
101350-46-3
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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