General Information of the Compound
| Compound ID |
CP0564578
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| Compound Name |
2-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole-8-carboxamide
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| Structure |
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| Formula |
C20H13F2N5O2S
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| Molecular Weight |
425.42
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| Canonical SMILES |
NC(=O)c1ccc2-c3nc(sc3CCOc2c1)-c1ncnn1-c1ccc(F)cc1F
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| InChI |
InChI=1S/C20H13F2N5O2S/c21-11-2-4-14(13(22)8-11)27-19(24-9-25-27)20-26-17-12-3-1-10(18(23)28)7-15(12)29-6-5-16(17)30-20/h1-4,7-9H,5-6H2,(H2,23,28)
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| InChIKey |
PZDXZPWVGCQPBG-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