General Information of the Compound
| Compound ID |
CP0860031
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| Compound Name |
(E)-3-(4-(((1r,3r,5R,7S)-Adamantan-2-ylidene)(4-hydroxyphenyl)methyl)phenyl)acrylic acid
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| Structure |
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| Formula |
C26H26O3
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| Molecular Weight |
386.491
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| Canonical SMILES |
O=C(O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C26H26O3/c27-23-8-6-20(7-9-23)25(19-4-1-16(2-5-19)3-10-24(28)29)26-21-12-17-11-18(14-21)15-22(26)13-17/h1-10,17-18,21-22,27H,11-15H2,(H,28,29)/b10-3+,26-25?
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| InChIKey |
ABIIDXAYHQFYHP-DRVGFPQISA-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