General Information of the Compound
| Compound ID |
CP0446823
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| Compound Name |
3-[4-[[3-[2-methyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methylamino]phenyl]propanoic acid
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| Structure |
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| Formula |
C27H31NO5S
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| Molecular Weight |
481.614
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| Canonical SMILES |
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(O)=O)cc2)c1
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| InChI |
InChI=1S/C27H31NO5S/c1-20-17-25(33-15-4-16-34(2,31)32)12-13-26(20)23-6-3-5-22(18-23)19-28-24-10-7-21(8-11-24)9-14-27(29)30/h3,5-8,10-13,17-18,28H,4,9,14-16,19H2,1-2H3,(H,29,30)
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| InChIKey |
IGHJVOCIZJDBTG-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