General Information of the Compound
| Compound ID |
CP0455625
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| Compound Name |
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(3-methylsulfanylphenyl)urea
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| Structure |
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| Formula |
C23H22N4OS
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| Molecular Weight |
402.523
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| Canonical SMILES |
CSc1cccc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)c1
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| InChI |
InChI=1S/C23H22N4OS/c1-29-19-6-4-5-18(15-19)25-23(28)24-17-12-9-16(10-13-17)11-14-22-26-20-7-2-3-8-21(20)27-22/h2-10,12-13,15H,11,14H2,1H3,(H,26,27)(H2,24,25,28)
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| InChIKey |
YBSNMBYLWIEXSA-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