General Information of the Compound
| Compound ID |
CP0500669
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| Compound Name |
3-[hydroxy(phenyl)methyl]-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C29H33N3O2
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| Molecular Weight |
455.602
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| Canonical SMILES |
OC(c1ccccc1)c1cccnc1C(=O)NCCCN1CCC2(CCc3ccccc23)CC1
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| InChI |
InChI=1S/C29H33N3O2/c33-27(23-9-2-1-3-10-23)24-11-6-17-30-26(24)28(34)31-18-7-19-32-20-15-29(16-21-32)14-13-22-8-4-5-12-25(22)29/h1-6,8-12,17,27,33H,7,13-16,18-21H2,(H,31,34)
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| InChIKey |
SBEZGUMRMQPPQV-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