General Information of the Compound
| Compound ID |
CP0415959
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| Compound Name |
1-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-(3-methylsulfanylphenyl)urea
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| Structure |
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| Formula |
C25H26N4OS
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| Molecular Weight |
430.577
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| Canonical SMILES |
CCn1c(CCc2ccc(NC(=O)Nc3cccc(SC)c3)cc2)nc2ccccc12
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| InChI |
InChI=1S/C25H26N4OS/c1-3-29-23-10-5-4-9-22(23)28-24(29)16-13-18-11-14-19(15-12-18)26-25(30)27-20-7-6-8-21(17-20)31-2/h4-12,14-15,17H,3,13,16H2,1-2H3,(H2,26,27,30)
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| InChIKey |
BEJJKAFQOXMLRI-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