General Information of the Compound
| Compound ID |
CP0445659
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| Compound Name |
1-{4-[3-(3-Chloro-phenyl)-prop-2-ynyloxy]-[1,2,5]thiadiazol-3-yl}-4-aza-tricyclo[2.2.1.0*2,6*]heptane
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| Structure |
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| Formula |
C17H14ClN3OS
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| Molecular Weight |
343.839
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| Canonical SMILES |
Clc1cccc(c1)C#CCOc1nsnc1C12CN3CC1C2C3
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| InChI |
InChI=1S/C17H14ClN3OS/c18-12-5-1-3-11(7-12)4-2-6-22-16-15(19-23-20-16)17-10-21-8-13(17)14(17)9-21/h1,3,5,7,13-14H,6,8-10H2
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| InChIKey |
HPTGNTPIZBKTDN-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