General Information of the Compound
| Compound ID |
CP0397079
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| Compound Name |
[(2S)-2-bicyclo[2.2.1]heptanyl]-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
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| Structure |
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| Formula |
C22H22N2OS
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| Molecular Weight |
362.498
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| Canonical SMILES |
O=C([C@H]1CC2CCC1C2)N1CCc2nc(sc2C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C22H22N2OS/c25-22(18-13-16-6-8-17(18)12-16)24-11-10-19-20(14-24)26-21(23-19)9-7-15-4-2-1-3-5-15/h1-5,16-18H,6,8,10-14H2/t16?,17?,18-/m0/s1
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| InChIKey |
VDONLXKRWQWXBB-ABHNRTSZSA-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