General Information of the Compound
| Compound ID |
CP0218989
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| Compound Name |
(5-(2-hydroxyphenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl)(thiophen-2-yl)methanone
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| Structure |
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| Formula |
C19H15N3O2S
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| Molecular Weight |
349.415
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| Canonical SMILES |
Oc1ccccc1C1CC(=NN1C(=O)c1cccs1)c1cccnc1
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| InChI |
InChI=1S/C19H15N3O2S/c23-17-7-2-1-6-14(17)16-11-15(13-5-3-9-20-12-13)21-22(16)19(24)18-8-4-10-25-18/h1-10,12,16,23H,11H2
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| InChIKey |
FZEFXBSMKLLKED-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