General Information of the Compound
| Compound ID |
CP0373543
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| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(1-methyl-1H-pyrazol-4-yl)thiazol-5-yl)acetic acid
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| Structure |
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| Formula |
C22H17F2N3O2S
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| Molecular Weight |
425.46
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| Canonical SMILES |
Cn1cc(cn1)-c1nc(sc1CC(O)=O)C(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H17F2N3O2S/c1-27-12-15(11-25-27)21-18(10-19(28)29)30-22(26-21)20(13-2-6-16(23)7-3-13)14-4-8-17(24)9-5-14/h2-9,11-12,20H,10H2,1H3,(H,28,29)
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| InChIKey |
NJCZQFVSPLNRQV-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