General Information of the Compound
| Compound ID |
CP0846161
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| Compound Name |
3-({2-[Tris(4-methoxyphenyl)methoxy]ethyl}amino)propanoic acid
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| Structure |
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| Formula |
C27H31NO6
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| Molecular Weight |
465.546
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| Canonical SMILES |
COc1ccc(C(OCCNCCC(=O)O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C27H31NO6/c1-31-23-10-4-20(5-11-23)27(21-6-12-24(32-2)13-7-21,22-8-14-25(33-3)15-9-22)34-19-18-28-17-16-26(29)30/h4-15,28H,16-19H2,1-3H3,(H,29,30)
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| InChIKey |
GCIWBLKRYTXLGU-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