General Information of the Compound
| Compound ID |
CP0394131
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| Compound Name |
NS-49
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| Synonyms |
ABT-232
Garomefrine hydrochloride
NS-49
PNO-49B
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| Structure |
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| Formula |
C9H13FN2O3S
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| Molecular Weight |
248.279
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| Canonical SMILES |
CS(=O)(=O)Nc1ccc(F)c(c1)[C@@H](O)CN
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| InChI |
InChI=1S/C9H13FN2O3S/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3/t9-/m0/s1
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| InChIKey |
XYLJNMCMDOOJRW-VIFPVBQESA-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor
Clinical Information about the Compound