General Information of the Compound
| Compound ID |
CP0490154
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| Compound Name |
5-(4-carboxy-2-(2,4-dioxo-4-(4-stearamidophenyl)butyl)phenoxy)isophthalic acid
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| Structure |
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| Formula |
C43H53NO10
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| Molecular Weight |
743.894
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| Canonical SMILES |
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)C(=O)CC(=O)Cc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C43H53NO10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-40(47)44-35-21-18-30(19-22-35)38(46)29-36(45)26-32-24-31(41(48)49)20-23-39(32)54-37-27-33(42(50)51)25-34(28-37)43(52)53/h18-25,27-28H,2-17,26,29H2,1H3,(H,44,47)(H,48,49)(H,50,51)(H,52,53)
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| InChIKey |
NATWTYZSTKXHOK-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