General Information of the Compound
| Compound ID |
CP0474978
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| Compound Name |
2-[[(E)-5-(2-chlorophenyl)pent-2-en-4-ynoyl]amino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C18H16ClNO3
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| Molecular Weight |
329.783
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccccc1Cl
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| InChI |
InChI=1S/C18H16ClNO3/c19-15-10-4-1-7-13(15)8-2-6-12-17(21)20-16-11-5-3-9-14(16)18(22)23/h1,4,6-7,10,12H,3,5,9,11H2,(H,20,21)(H,22,23)/b12-6+
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| InChIKey |
GTBYYRMHGRYJPX-WUXMJOGZSA-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