General Information of the Compound
| Compound ID |
CP0411051
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| Compound Name |
1-(3,4-dimethylphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
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| Structure |
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| Formula |
C26H28N4O
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| Molecular Weight |
412.537
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| Canonical SMILES |
CCn1c(CCc2ccc(NC(=O)Nc3ccc(C)c(C)c3)cc2)nc2ccccc12
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| InChI |
InChI=1S/C26H28N4O/c1-4-30-24-8-6-5-7-23(24)29-25(30)16-12-20-10-14-21(15-11-20)27-26(31)28-22-13-9-18(2)19(3)17-22/h5-11,13-15,17H,4,12,16H2,1-3H3,(H2,27,28,31)
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| InChIKey |
MSVNNSQRXCDAHI-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