General Information of the Compound
| Compound ID |
CP0969615
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| Compound Name |
1-(2-((R)-4-[4-(1H-Benzoimidazol-2-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl)-2-oxo-ethyl)-1H-pyrazole-3-carboxylic Acid
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| Structure |
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| Formula |
C22H20F3N7O3S
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| Molecular Weight |
519.509
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| Canonical SMILES |
C[C@@H]1CN(c2sc(C(F)(F)F)nc2-c2nc3ccccc3[nH]2)CCN1C(=O)Cn1ccc(C(=O)O)n1
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| InChI |
InChI=1S/C22H20F3N7O3S/c1-12-10-30(8-9-32(12)16(33)11-31-7-6-15(29-31)20(34)35)19-17(28-21(36-19)22(23,24)25)18-26-13-4-2-3-5-14(13)27-18/h2-7,12H,8-11H2,1H3,(H,26,27)(H,34,35)/t12-/m1/s1
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| InChIKey |
LNIFZOCKSHTJHV-GFCCVEGCSA-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