General Information of the Compound
| Compound ID |
CP0564579
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| Compound Name |
2-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]-4-methyl-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole-8-carboxamide
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| Structure |
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| Formula |
C21H15F2N5O2S
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| Molecular Weight |
439.447
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| Canonical SMILES |
CC1COc2cc(ccc2-c2nc(sc12)-c1ncnn1-c1ccc(F)cc1F)C(N)=O
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| InChI |
InChI=1S/C21H15F2N5O2S/c1-10-8-30-16-6-11(19(24)29)2-4-13(16)17-18(10)31-21(27-17)20-25-9-26-28(20)15-5-3-12(22)7-14(15)23/h2-7,9-10H,8H2,1H3,(H2,24,29)
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| InChIKey |
UUEQJJPDWJRBAN-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