General Information of the Compound
| Compound ID |
CP0479253
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| Compound Name |
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-(3-methylsulfanylphenyl)urea
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| Structure |
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| Formula |
C24H24N4OS
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| Molecular Weight |
416.55
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| Canonical SMILES |
CSc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4n3C)cc2)c1
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| InChI |
InChI=1S/C24H24N4OS/c1-28-22-9-4-3-8-21(22)27-23(28)15-12-17-10-13-18(14-11-17)25-24(29)26-19-6-5-7-20(16-19)30-2/h3-11,13-14,16H,12,15H2,1-2H3,(H2,25,26,29)
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| InChIKey |
QQTHFTYGNCFNCI-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