General Information of the Compound
| Compound ID |
CP0462269
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| Compound Name |
1-(3-chlorophenyl)-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 |
C18H13ClN6O2S2
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| Molecular Weight |
444.929
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| Canonical SMILES |
Clc1cccc(NC(=O)Nc2nnc(SCc3nc4ccccc4[nH]c3=O)s2)c1
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| InChI |
InChI=1S/C18H13ClN6O2S2/c19-10-4-3-5-11(8-10)20-16(27)23-17-24-25-18(29-17)28-9-14-15(26)22-13-7-2-1-6-12(13)21-14/h1-8H,9H2,(H,22,26)(H2,20,23,24,27)
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| InChIKey |
GMRCTFYPGZEFRJ-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