General Information of the Compound
| Compound ID |
CP0485507
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| Compound Name |
3-[5-Hydroxy-4-methoxy-2-(nonanoylamino-methyl)-phenyl]-acrylic acid methyl ester
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| Structure |
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| Formula |
C21H31NO5
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| Molecular Weight |
377.481
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| Canonical SMILES |
CCCCCCCCC(=O)NCc1cc(OC)c(O)cc1\C=C\C(=O)OC
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| InChI |
InChI=1S/C21H31NO5/c1-4-5-6-7-8-9-10-20(24)22-15-17-14-19(26-2)18(23)13-16(17)11-12-21(25)27-3/h11-14,23H,4-10,15H2,1-3H3,(H,22,24)/b12-11+
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| InChIKey |
DLSXEIMYJTWAMT-VAWYXSNFSA-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