General Information of the Compound
| Compound ID |
CP0395117
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| Compound Name |
4-[5-[5-(3-cyano-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
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| Structure |
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| Formula |
C22H18N4O5
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| Molecular Weight |
418.409
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| Canonical SMILES |
COc1cc(cc(c1)-c1nc(no1)-c1ccc2N(CCc2c1)C(=O)CCC(O)=O)C#N
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| InChI |
InChI=1S/C22H18N4O5/c1-30-17-9-13(12-23)8-16(11-17)22-24-21(25-31-22)15-2-3-18-14(10-15)6-7-26(18)19(27)4-5-20(28)29/h2-3,8-11H,4-7H2,1H3,(H,28,29)
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| InChIKey |
WCUDYJGXKCOLCU-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