General Information of the Compound
| Compound ID |
CP0384489
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| Compound Name |
2-[[(E)-5-phenylpent-2-en-4-ynoyl]amino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C18H17NO3
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| Molecular Weight |
295.338
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1ccccc1
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| InChI |
InChI=1S/C18H17NO3/c20-17(13-7-4-10-14-8-2-1-3-9-14)19-16-12-6-5-11-15(16)18(21)22/h1-3,7-9,13H,5-6,11-12H2,(H,19,20)(H,21,22)/b13-7+
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| InChIKey |
OSXLZFYQTTVPCW-NTUHNPAUSA-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