General Information of the Compound
| Compound ID |
CP0935745
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| Compound Name |
Acetic acid 5-pyridin-3-yl-5-(2,4,5-trimethyl-3,6-dioxo-cyclohexa-1,4-dienyl)-pentyl ester
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| Structure |
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| Formula |
C21H25NO4
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| Molecular Weight |
355.434
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| Canonical SMILES |
CC(=O)OCCCCC(C1=C(C)C(=O)C(C)=C(C)C1=O)c1cccnc1
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| InChI |
InChI=1S/C21H25NO4/c1-13-14(2)21(25)19(15(3)20(13)24)18(17-8-7-10-22-12-17)9-5-6-11-26-16(4)23/h7-8,10,12,18H,5-6,9,11H2,1-4H3
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| InChIKey |
AYLXKTLSSDOULH-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