General Information of the Compound
| Compound ID |
CP0860477
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| Compound Name |
(rac)-3-({2-[Tris(4-methoxyphenyl)methoxy]ethyl}amino)butanoic acid
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| Structure |
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| Formula |
C28H33NO6
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| Molecular Weight |
479.573
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| Canonical SMILES |
COc1ccc(C(OCCNC(C)CC(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C28H33NO6/c1-20(19-27(30)31)29-17-18-35-28(21-5-11-24(32-2)12-6-21,22-7-13-25(33-3)14-8-22)23-9-15-26(34-4)16-10-23/h5-16,20,29H,17-19H2,1-4H3,(H,30,31)
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| InChIKey |
FLSWCXOAXOLNGC-UHFFFAOYSA-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