General Information of the Compound
| Compound ID |
CP0452912
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| Compound Name |
6-(5-fluoro-4-hydroxyspiro[chroman-2,4'-piperidine]-1'-yl)-N-(2-hydroxy-2-phenylethyl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C26H27FN4O4
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| Molecular Weight |
478.524
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| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)CC(O)c1c(F)cccc1O2)c1ccccc1
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| InChI |
InChI=1S/C26H27FN4O4/c27-18-7-4-8-22-24(18)20(32)15-26(35-22)11-13-31(14-12-26)23-10-9-19(29-30-23)25(34)28-16-21(33)17-5-2-1-3-6-17/h1-10,20-21,32-33H,11-16H2,(H,28,34)
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| InChIKey |
DUSOQMDRYWOWPW-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