General Information of the Compound
| Compound ID |
CP0411048
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| Compound Name |
1-(4-ethylphenyl)-3-[5-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]urea
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| Structure |
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| Formula |
C21H20N6O2S2
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| Molecular Weight |
452.565
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| Canonical SMILES |
CCc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cccc(C)c4n3)s2)cc1
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| InChI |
InChI=1S/C21H20N6O2S2/c1-3-14-6-8-15(9-7-14)23-19(29)24-20-25-26-21(31-20)30-12-16-11-17(28)27-10-4-5-13(2)18(27)22-16/h4-11H,3,12H2,1-2H3,(H2,23,24,25,29)
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| InChIKey |
IEUKCRRKSPPPBR-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
Protein ID: PT01390, BDNF/NT-3 growth factors receptor
Protein ID: PT00934, High affinity nerve growth factor receptor