General Information of the Compound
| Compound ID |
CP0512854
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| Compound Name |
2-[[(E)-5-(3-hydroxyphenyl)pent-2-en-4-ynoyl]amino]cyclohexene-1-carboxylic acid
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| Structure |
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| Formula |
C18H17NO4
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| Molecular Weight |
311.337
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| Canonical SMILES |
OC(=O)C1=C(CCCC1)NC(=O)\C=C\C#Cc1cccc(O)c1
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| InChI |
InChI=1S/C18H17NO4/c20-14-8-5-7-13(12-14)6-1-4-11-17(21)19-16-10-3-2-9-15(16)18(22)23/h4-5,7-8,11-12,20H,2-3,9-10H2,(H,19,21)(H,22,23)/b11-4+
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| InChIKey |
QYZMXCUFLXBIQN-NYYWCZLTSA-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