General Information of the Compound
| Compound ID |
CP0316932
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| Compound Name |
(E)-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-4,5,6,7-tetrahydro-1-benzofuran-2-yl]but-2-enoic acid
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| Structure |
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| Formula |
C26H32O3
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| Molecular Weight |
392.539
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| Canonical SMILES |
C\C(=C/C(O)=O)c1cc2C(CCCc2o1)c1ccc2c(c1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C26H32O3/c1-16(13-24(27)28)23-15-19-18(7-6-8-22(19)29-23)17-9-10-20-21(14-17)26(4,5)12-11-25(20,2)3/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b16-13+
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| InChIKey |
DOSXLPGCGUQSGK-DTQAZKPQSA-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