General Information of the Compound
| Compound ID |
CP0433958
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| Compound Name |
1-[5-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[3-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C19H13F3N6O2S2
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| Molecular Weight |
478.481
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)c1
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| InChI |
InChI=1S/C19H13F3N6O2S2/c20-19(21,22)10-4-3-5-11(8-10)23-16(30)26-17-27-28-18(32-17)31-9-14-15(29)25-13-7-2-1-6-12(13)24-14/h1-8H,9H2,(H,25,29)(H2,23,26,27,30)
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| InChIKey |
XTKSMYZRQMTSMS-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