General Information of the Compound
| Compound ID |
CP0845886
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| Compound Name |
2-amino-4-(biphenyl-4-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
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| Structure |
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| Formula |
C28H22N2O2
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| Molecular Weight |
418.496
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| Canonical SMILES |
N#CC1=C(N)OC2=C(C(=O)CC(c3ccccc3)C2)C1c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C28H22N2O2/c29-17-23-26(21-13-11-20(12-14-21)18-7-3-1-4-8-18)27-24(31)15-22(16-25(27)32-28(23)30)19-9-5-2-6-10-19/h1-14,22,26H,15-16,30H2
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| InChIKey |
QRUXZHSOAGNMMU-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