General Information of the Compound
| Compound ID |
CP0533431
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| Compound Name |
1-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(3,4,5-trimethoxyphenyl)urea
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| Structure |
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| Formula |
C25H26N4O4
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| Molecular Weight |
446.507
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| Canonical SMILES |
COc1cc(NC(=O)Nc2ccc(CCc3nc4ccccc4[nH]3)cc2)cc(OC)c1OC
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| InChI |
InChI=1S/C25H26N4O4/c1-31-21-14-18(15-22(32-2)24(21)33-3)27-25(30)26-17-11-8-16(9-12-17)10-13-23-28-19-6-4-5-7-20(19)29-23/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,28,29)(H2,26,27,30)
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| InChIKey |
JOWXGKSNAXVKLS-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