General Information of the Compound
| Compound ID |
CP0448610
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| Compound Name |
N-[1'-[2-(2-methoxyphenyl)ethyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
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| Structure |
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| Formula |
C23H28N2O5S
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| Molecular Weight |
444.553
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| Canonical SMILES |
COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2
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| InChI |
InChI=1S/C23H28N2O5S/c1-29-21-6-4-3-5-17(21)9-12-25-13-10-23(11-14-25)16-20(26)19-8-7-18(15-22(19)30-23)24-31(2,27)28/h3-8,15,24H,9-14,16H2,1-2H3
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| InChIKey |
QBFJWYVQWOPOQH-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