General Information of the Compound
| Compound ID |
CP0525329
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| Compound Name |
N-methyl-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-4,5-dihydro-[1]benzoxepino[4,5-d][1,3]thiazole-8-carboxamide
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| Structure |
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| Formula |
C18H19N5O2S
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| Molecular Weight |
369.45
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| Canonical SMILES |
CNC(=O)c1ccc2-c3sc(nc3CCOc2c1)-c1ncnn1C(C)C
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| InChI |
InChI=1S/C18H19N5O2S/c1-10(2)23-16(20-9-21-23)18-22-13-6-7-25-14-8-11(17(24)19-3)4-5-12(14)15(13)26-18/h4-5,8-10H,6-7H2,1-3H3,(H,19,24)
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| InChIKey |
ZQRWIFWSHGWCRI-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