General Information of the Compound
| Compound ID |
CP0951813
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| Compound Name |
7-Pyridin-3-yl-7-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-hept-6-enoic acid
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| Structure |
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| Formula |
C21H23NO4
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| Molecular Weight |
353.418
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| Canonical SMILES |
CC1=C(C)C(=O)C(/C(=C/CCCCC(=O)O)c2cccnc2)=C(C)C1=O
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| InChI |
InChI=1S/C21H23NO4/c1-13-14(2)21(26)19(15(3)20(13)25)17(16-8-7-11-22-12-16)9-5-4-6-10-18(23)24/h7-9,11-12H,4-6,10H2,1-3H3,(H,23,24)/b17-9+
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| InChIKey |
YKGIXGOMOSUPPZ-RQZCQDPDSA-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