General Information of the Compound
| Compound ID |
CP0554550
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| Compound Name |
N-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
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| Structure |
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| Formula |
C22H19ClF3N3O
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| Molecular Weight |
433.861
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| Canonical SMILES |
FC(F)(F)c1cc(CNC(=O)Cc2ccc3CCCc3c2)n(n1)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H19ClF3N3O/c23-17-5-2-6-18(11-17)29-19(12-20(28-29)22(24,25)26)13-27-21(30)10-14-7-8-15-3-1-4-16(15)9-14/h2,5-9,11-12H,1,3-4,10,13H2,(H,27,30)
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| InChIKey |
DYHKSDFDIAREQK-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