General Information of the Compound
| Compound ID |
CP0059885
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| Compound Name |
2-(3-(3-(2-chlorobenzyl)ureido)thiophen-2-yl)-5,6-dihydroxypyrimidine-4-carboxylic acid
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| Structure |
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| Formula |
C17H13ClN4O5S
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| Molecular Weight |
420.834
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| Canonical SMILES |
OC(=O)c1nc([nH]c(=O)c1O)-c1sccc1NC(=O)NCc1ccccc1Cl
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| InChI |
InChI=1S/C17H13ClN4O5S/c18-9-4-2-1-3-8(9)7-19-17(27)20-10-5-6-28-13(10)14-21-11(16(25)26)12(23)15(24)22-14/h1-6,23H,7H2,(H,25,26)(H2,19,20,27)(H,21,22,24)
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| InChIKey |
COWNEZLXLGOWIV-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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