General Information of the Compound
| Compound ID |
CP0880981
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| Compound Name |
7-[(3,5-Dichloropyridin-4-yl)methoxy]-4-(3-thienyl)-2-naphthoic acid
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| Structure |
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| Formula |
C21H13Cl2NO3S
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| Molecular Weight |
430.312
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| Canonical SMILES |
O=C(O)c1cc(-c2ccsc2)c2ccc(OCc3c(Cl)cncc3Cl)cc2c1
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| InChI |
InChI=1S/C21H13Cl2NO3S/c22-19-8-24-9-20(23)18(19)10-27-15-1-2-16-13(6-15)5-14(21(25)26)7-17(16)12-3-4-28-11-12/h1-9,11H,10H2,(H,25,26)
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| InChIKey |
RMHVTDQQEHXVIA-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