General Information of the Compound
| Compound ID |
CP0412859
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| Compound Name |
3-[5-[(Z)-(5-imino-7-oxo-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene)methyl]furan-2-yl]benzoic acid
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| Structure |
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| Formula |
C20H16N4O4S
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| Molecular Weight |
408.439
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| Canonical SMILES |
CCCC1=NN2C(S1)=NC(=O)\C(=C/c1ccc(o1)-c1cccc(c1)C(O)=O)C2=N
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| InChI |
InChI=1S/C20H16N4O4S/c1-2-4-16-23-24-17(21)14(18(25)22-20(24)29-16)10-13-7-8-15(28-13)11-5-3-6-12(9-11)19(26)27/h3,5-10,21H,2,4H2,1H3,(H,26,27)/b14-10-,21-17?
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| InChIKey |
YLWCWUGZPZVDQQ-QBILMKHKSA-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