General Information of the Compound
| Compound ID |
CP0459232
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| Compound Name |
1-(3-bromophenyl)-3-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]urea
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| Structure |
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| Formula |
C23H21BrN4O
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| Molecular Weight |
449.352
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| Canonical SMILES |
Cn1c(CCc2ccc(NC(=O)Nc3cccc(Br)c3)cc2)nc2ccccc12
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| InChI |
InChI=1S/C23H21BrN4O/c1-28-21-8-3-2-7-20(21)27-22(28)14-11-16-9-12-18(13-10-16)25-23(29)26-19-6-4-5-17(24)15-19/h2-10,12-13,15H,11,14H2,1H3,(H2,25,26,29)
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| InChIKey |
MHCJGKYOXVHJDJ-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