General Information of the Compound
| Compound ID |
CP0395091
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| Compound Name |
N-[1'-(2-naphthalen-1-ylethyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
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| Structure |
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| Formula |
C26H28N2O4S
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| Molecular Weight |
464.587
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4cccc5ccccc45)CC3)Oc2c1
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| InChI |
InChI=1S/C26H28N2O4S/c1-33(30,31)27-21-9-10-23-24(29)18-26(32-25(23)17-21)12-15-28(16-13-26)14-11-20-7-4-6-19-5-2-3-8-22(19)20/h2-10,17,27H,11-16,18H2,1H3
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| InChIKey |
KWGFRDRXXIKKIO-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