General Information of the Compound
| Compound ID |
CP0462277
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| Compound Name |
1-(2,4-difluorophenyl)-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 |
C19H14F2N6O2S2
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| Molecular Weight |
460.491
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| Canonical SMILES |
Cc1cccn2c1nc(CSc1nnc(NC(=O)Nc3ccc(F)cc3F)s1)cc2=O
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| InChI |
InChI=1S/C19H14F2N6O2S2/c1-10-3-2-6-27-15(28)8-12(22-16(10)27)9-30-19-26-25-18(31-19)24-17(29)23-14-5-4-11(20)7-13(14)21/h2-8H,9H2,1H3,(H2,23,24,25,29)
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| InChIKey |
CLVXACNTSZFPSJ-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