General Information of the Compound
| Compound ID |
CP0386924
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| Compound Name |
2-phenyl-4-[[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methyl]-1,3-oxazole
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| Structure |
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| Formula |
C18H20N4OS
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| Molecular Weight |
340.452
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| Canonical SMILES |
C(N1CCCN(CC1)c1nccs1)c1coc(n1)-c1ccccc1
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| InChI |
InChI=1S/C18H20N4OS/c1-2-5-15(6-3-1)17-20-16(14-23-17)13-21-8-4-9-22(11-10-21)18-19-7-12-24-18/h1-3,5-7,12,14H,4,8-11,13H2
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| InChIKey |
UHAMUBGOQVPGGQ-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