General Information of the Compound
| Compound ID |
CP0078638
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| Compound Name |
(E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-yl]-acrylic acid
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| Structure |
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| Formula |
C23H28O3
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| Molecular Weight |
352.474
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| Canonical SMILES |
Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+
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| InChIKey |
PCLGZAGPVGBVBQ-VQHVLOKHSA-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