General Information of the Compound
| Compound ID |
CP0458381
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| Compound Name |
1-[[2-(3,6-dihydro-2H-pyridin-1-yl)-6-(trifluoromethoxy)-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C19H17F3N4O3S
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| Molecular Weight |
438.431
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(OC(F)(F)F)cc2sc(nc12)N1CCC=CC1)C(O)=O
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| InChI |
InChI=1S/C19H17F3N4O3S/c1-11-7-14(17(27)28)24-26(11)10-12-8-13(29-19(20,21)22)9-15-16(12)23-18(30-15)25-5-3-2-4-6-25/h2-3,7-9H,4-6,10H2,1H3,(H,27,28)
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| InChIKey |
JLZQAPLSDXCVPA-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