General Information of the Compound
| Compound ID |
CP0533370
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| Compound Name |
4-fluoro-N-methyl-N-[1-[5-(2-methylpyrazol-3-yl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C20H20F4N6OS
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| Molecular Weight |
468.48
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| Canonical SMILES |
CN(C1CCN(CC1)c1nnc(s1)-c1ccnn1C)C(=O)c1ccc(F)cc1C(F)(F)F
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| InChI |
InChI=1S/C20H20F4N6OS/c1-28(18(31)14-4-3-12(21)11-15(14)20(22,23)24)13-6-9-30(10-7-13)19-27-26-17(32-19)16-5-8-25-29(16)2/h3-5,8,11,13H,6-7,9-10H2,1-2H3
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| InChIKey |
DRKJSYRXWPMRJD-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