General Information of the Compound
| Compound ID |
CP0745094
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| Compound Name |
2-({[1-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
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| Structure |
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| Formula |
C21H17N5O
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| Molecular Weight |
355.401
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| Canonical SMILES |
Cn1cc(-n2cnc3ccc(OCc4ccc5ccccc5n4)cc32)cn1
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| InChI |
InChI=1S/C21H17N5O/c1-25-12-17(11-23-25)26-14-22-20-9-8-18(10-21(20)26)27-13-16-7-6-15-4-2-3-5-19(15)24-16/h2-12,14H,13H2,1H3
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| InChIKey |
BNZILYNMPNARFA-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