General Information of the Compound
| Compound ID |
CP0455613
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| Compound Name |
1-[5-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
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| Structure |
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| Formula |
C18H14N6O2S2
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| Molecular Weight |
410.484
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| Canonical SMILES |
O=C(Nc1nnc(SCc2nc3ccccc3[nH]c2=O)s1)Nc1ccccc1
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| InChI |
InChI=1S/C18H14N6O2S2/c25-15-14(20-12-8-4-5-9-13(12)21-15)10-27-18-24-23-17(28-18)22-16(26)19-11-6-2-1-3-7-11/h1-9H,10H2,(H,21,25)(H2,19,22,23,26)
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| InChIKey |
MOYRTUUFKHOEQH-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