General Information of the Compound
| Compound ID |
CP0452574
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| Compound Name |
(3R)-3-[4-[[4-(3-methoxyphenyl)phenyl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C26H24O4
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| Molecular Weight |
400.474
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| Canonical SMILES |
COc1cccc(c1)-c1ccc(COc2ccc(cc2)[C@@H](CC(O)=O)C#CC)cc1
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| InChI |
InChI=1S/C26H24O4/c1-3-5-22(17-26(27)28)21-12-14-24(15-13-21)30-18-19-8-10-20(11-9-19)23-6-4-7-25(16-23)29-2/h4,6-16,22H,17-18H2,1-2H3,(H,27,28)/t22-/m1/s1
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| InChIKey |
GPGWSJNBTROZBS-JOCHJYFZSA-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