General Information of the Compound
| Compound ID |
CP0849190
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| Compound Name |
2-amino-5-oxo-7-phenyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C20H16N2O2S
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| Molecular Weight |
348.427
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| Canonical SMILES |
N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1cccs1
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| InChI |
InChI=1S/C20H16N2O2S/c21-11-14-18(17-7-4-8-25-17)19-15(23)9-13(10-16(19)24-20(14)22)12-5-2-1-3-6-12/h1-8,13,18H,9-10,22H2
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| InChIKey |
GEMOXYJUYDPQOV-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: PT03541, Excitatory amino acid transporter 2
Protein ID: PT03879, Excitatory amino acid transporter 3