General Information of the Compound
| Compound ID |
CP0514893
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| Compound Name |
1,3-diphenyl-N-prop-2-ynylpyrazole-4-carboxamide
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| Structure |
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| Formula |
C19H15N3O
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| Molecular Weight |
301.349
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| Canonical SMILES |
O=C(NCC#C)c1cn(nc1-c1ccccc1)-c1ccccc1
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| InChI |
InChI=1S/C19H15N3O/c1-2-13-20-19(23)17-14-22(16-11-7-4-8-12-16)21-18(17)15-9-5-3-6-10-15/h1,3-12,14H,13H2,(H,20,23)
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| InChIKey |
GVHSUNOYDSGFQR-UHFFFAOYSA-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