General Information of the Compound
| Compound ID |
CP0042879
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| Compound Name |
4-[5-thiophen-2-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]phenol
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| Structure |
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| Formula |
C20H15F3N2OS
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| Molecular Weight |
388.414
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| Canonical SMILES |
Oc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(F)(F)F)c1cccs1
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| InChI |
InChI=1S/C20H15F3N2OS/c21-20(22,23)14-5-7-15(8-6-14)25-18(13-3-9-16(26)10-4-13)12-17(24-25)19-2-1-11-27-19/h1-11,18,26H,12H2
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| InChIKey |
QUXYAWGELQKXGX-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
Protein ID: PT01718, Nitric oxide synthase, inducible
Protein ID: PT00924, Protein kinase C zeta type