General Information of the Compound
| Compound ID |
CP0477380
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| Compound Name |
1-(2,3-dimethylphenyl)-3-[5-[(7-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 |
Cc1ccc2nc(CSc3nnc(NC(=O)Nc4cccc(C)c4C)s3)cc(=O)n2c1
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| InChI |
InChI=1S/C21H20N6O2S2/c1-12-7-8-17-22-15(9-18(28)27(17)10-12)11-30-21-26-25-20(31-21)24-19(29)23-16-6-4-5-13(2)14(16)3/h4-10H,11H2,1-3H3,(H2,23,24,25,29)
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| InChIKey |
LXDDVLXCLMFJMU-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