General Information of the Compound
| Compound ID |
CP0457503
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| Compound Name |
3-oxo-N-(3-phenylisoxazol-5-yl)-3H-spiro[isobenzofuran-1,4'-piperidine]-1'-carboxamide
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| Structure |
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| Formula |
C22H19N3O4
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| Molecular Weight |
389.411
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| Canonical SMILES |
O=C(Nc1cc(no1)-c1ccccc1)N1CCC2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C22H19N3O4/c26-20-16-8-4-5-9-17(16)22(28-20)10-12-25(13-11-22)21(27)23-19-14-18(24-29-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,27)
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| InChIKey |
OCGLBXLPRIRABM-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