General Information of the Compound
| Compound ID |
CP0527078
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| Compound Name |
N-(2-hydroxy-2-phenylethyl)-6-spiro[1,4-dihydroisochromene-3,4'-piperidine]-1'-ylpyridazine-3-carboxamide
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
OC(CNC(=O)c1ccc(nn1)N1CCC2(CC1)Cc1ccccc1CO2)c1ccccc1
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| InChI |
InChI=1S/C26H28N4O3/c31-23(19-6-2-1-3-7-19)17-27-25(32)22-10-11-24(29-28-22)30-14-12-26(13-15-30)16-20-8-4-5-9-21(20)18-33-26/h1-11,23,31H,12-18H2,(H,27,32)
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| InChIKey |
BCQSGWNKFDAIOL-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