General Information of the Compound
| Compound ID |
CP0439725
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| Compound Name |
3-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
O=C(Nc1nsc(n1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C21H18N4O3S/c26-18-15-8-4-5-9-16(15)21(28-18)10-12-25(13-11-21)20(27)23-19-22-17(29-24-19)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,23,24,27)
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| InChIKey |
HBTPBWKAVPMXQK-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