General Information of the Compound
| Compound ID |
CP0543756
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| Compound Name |
1-[5-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C18H12ClFN6O2S2
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| Molecular Weight |
462.919
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| Canonical SMILES |
Fc1ccc(NC(=O)Nc2nnc(SCc3cc(=O)n4cc(Cl)ccc4n3)s2)cc1
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| InChI |
InChI=1S/C18H12ClFN6O2S2/c19-10-1-6-14-21-13(7-15(27)26(14)8-10)9-29-18-25-24-17(30-18)23-16(28)22-12-4-2-11(20)3-5-12/h1-8H,9H2,(H2,22,23,24,28)
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| InChIKey |
UAGDGYMJCNVISV-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