General Information of the Compound
| Compound ID |
CP0550400
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| Compound Name |
ethyl 4-(2-bromo-4-fluorophenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-6-(morpholin-4-ylmethyl)-1,4-dihydropyrimidine-5-carboxylate
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| Structure |
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| Formula |
C21H23BrFN5O3S
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| Molecular Weight |
524.416
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| Canonical SMILES |
CCOC(=O)C1=C(CN2CCOCC2)NC(=NC1c1ccc(F)cc1Br)c1nnc(C)s1
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| InChI |
InChI=1S/C21H23BrFN5O3S/c1-3-31-21(29)17-16(11-28-6-8-30-9-7-28)24-19(20-27-26-12(2)32-20)25-18(17)14-5-4-13(23)10-15(14)22/h4-5,10,18H,3,6-9,11H2,1-2H3,(H,24,25)
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| InChIKey |
GBXGEIYFHLUGQW-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