General Information of the Compound
| Compound ID |
CP0447506
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| Compound Name |
2-(4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)thiazole-5-carboxamide
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| Structure |
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| Formula |
C16H17F3N4OS
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| Molecular Weight |
370.4
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| Canonical SMILES |
NC(=O)c1cnc(s1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
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| InChI |
InChI=1S/C16H17F3N4OS/c17-16(18,19)12-4-2-1-3-11(12)10-22-5-7-23(8-6-22)15-21-9-13(25-15)14(20)24/h1-4,9H,5-8,10H2,(H2,20,24)
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| InChIKey |
OFOJQWGBHSVXQC-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