General Information of the Compound
| Compound ID |
CP0846971
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| Compound Name |
1-(biphenyl-4-ylmethyl)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[b]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C22H19NO3
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| Molecular Weight |
345.398
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| Canonical SMILES |
O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(c1=O)CCC2
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| InChI |
InChI=1S/C22H19NO3/c24-21-18-7-4-8-20(18)23(14-19(21)22(25)26)13-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-3,5-6,9-12,14H,4,7-8,13H2,(H,25,26)
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| InChIKey |
KUMGZLQPFYIYBG-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