General Information of the Compound
| Compound ID |
CP0468985
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| Compound Name |
1-(2,5-dimethylphenyl)-3-[5-[(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 |
C20H18N6O2S2
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| Molecular Weight |
438.538
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| Canonical SMILES |
Cc1ccc(C)c(NC(=O)Nc2nnc(SCc3cc(=O)n4ccccc4n3)s2)c1
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| InChI |
InChI=1S/C20H18N6O2S2/c1-12-6-7-13(2)15(9-12)22-18(28)23-19-24-25-20(30-19)29-11-14-10-17(27)26-8-4-3-5-16(26)21-14/h3-10H,11H2,1-2H3,(H2,22,23,24,28)
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| InChIKey |
ISCKCAPSTIOKTL-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