General Information of the Compound
| Compound ID |
CP0397434
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| Compound Name |
N-[4-oxo-1'-(2-pyridin-2-ylethyl)spiro[3H-chromene-2,4'-piperidine]-7-yl]methanesulfonamide
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| Structure |
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| Formula |
C21H25N3O4S
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| Molecular Weight |
415.515
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc2C(=O)CC3(CCN(CCc4ccccn4)CC3)Oc2c1
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| InChI |
InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-18-19(25)15-21(28-20(18)14-17)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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| InChIKey |
SPDFHNLNFIMTBW-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