General Information of the Compound
| Compound ID |
CP0432293
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| Compound Name |
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-8-amine
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| Structure |
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| Formula |
C13H17N3O2S
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| Molecular Weight |
279.365
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| Canonical SMILES |
O=S1(=O)CCCc2cccc(NCC3=NCCN3)c12
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| InChI |
InChI=1S/C13H17N3O2S/c17-19(18)8-2-4-10-3-1-5-11(13(10)19)16-9-12-14-6-7-15-12/h1,3,5,16H,2,4,6-9H2,(H,14,15)
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| InChIKey |
WAXAHQBOIDNYSY-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor