General Information of the Compound
| Compound ID |
CP0459233
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| Compound Name |
1-(3-chloro-4-fluorophenyl)-3-[5-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]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(SCc3nc4ccccc4[nH]c3=O)s2)cc1Cl
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| InChI |
InChI=1S/C18H12ClFN6O2S2/c19-10-7-9(5-6-11(10)20)21-16(28)24-17-25-26-18(30-17)29-8-14-15(27)23-13-4-2-1-3-12(13)22-14/h1-7H,8H2,(H,23,27)(H2,21,24,25,28)
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| InChIKey |
JCZLWVKEPFADRY-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