General Information of the Compound
| Compound ID |
CP0395275
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| Compound Name |
6-(1-methyl-1H-4-imidazolylsulfonamido)-1'-[2-(1-naphthyl)ethyl]-4-oxospiro[3,4-dihydro-2H-chromene-2,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C29H30N4O4S
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| Molecular Weight |
530.65
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)Nc1ccc2OC3(CCN(CCc4cccc5ccccc45)CC3)CC(=O)c2c1
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| InChI |
InChI=1S/C29H30N4O4S/c1-32-19-28(30-20-32)38(35,36)31-23-9-10-27-25(17-23)26(34)18-29(37-27)12-15-33(16-13-29)14-11-22-7-4-6-21-5-2-3-8-24(21)22/h2-10,17,19-20,31H,11-16,18H2,1H3
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| InChIKey |
QYNFZZOONQJAIB-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
Protein ID: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor