General Information of the Compound
| Compound ID |
CP0468139
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| Compound Name |
(R)-4-[2-Cyano-5-(pyridin-4-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid
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| Structure |
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| Formula |
C24H22N2O4
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| Molecular Weight |
402.45
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| Canonical SMILES |
Cc1ccccc1[C@@H](CCC(O)=O)Oc1cc(OCc2ccncc2)ccc1C#N
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| InChI |
InChI=1S/C24H22N2O4/c1-17-4-2-3-5-21(17)22(8-9-24(27)28)30-23-14-20(7-6-19(23)15-25)29-16-18-10-12-26-13-11-18/h2-7,10-14,22H,8-9,16H2,1H3,(H,27,28)/t22-/m1/s1
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| InChIKey |
DWRDDFDMTNOIAR-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