General Information of the Compound
| Compound ID |
CP0439036
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| Compound Name |
N-(2-hydroxy-2-phenylethyl)-6-(3-oxospiro[1-benzofuran-2,4'-piperidine]-1'-yl)pyridazine-3-carboxamide
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| Structure |
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| Formula |
C25H24N4O4
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| Molecular Weight |
444.491
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| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)Oc1ccccc1C2=O)c1ccccc1
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| InChI |
InChI=1S/C25H24N4O4/c30-20(17-6-2-1-3-7-17)16-26-24(32)19-10-11-22(28-27-19)29-14-12-25(13-15-29)23(31)18-8-4-5-9-21(18)33-25/h1-11,20,30H,12-16H2,(H,26,32)
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| InChIKey |
ZVZNQIQSIUMNAS-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