General Information of the Compound
| Compound ID |
CP0489056
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| Compound Name |
2-[5-(4-fluorophenyl)pent-4-ynoylamino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C18H18FNO3
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| Molecular Weight |
315.344
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)CCC#Cc1ccc(F)cc1
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| InChI |
InChI=1S/C18H18FNO3/c19-14-11-9-13(10-12-14)5-1-4-8-17(21)20-16-7-3-2-6-15(16)18(22)23/h9-12H,2-4,6-8H2,(H,20,21)(H,22,23)
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| InChIKey |
AQWGYJFRPFICJL-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