General Information of the Compound
| Compound ID |
CP0952191
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| Compound Name |
3-(4-((1H-benzo[d]imidazol-2-yl)methoxy)phenyl)-1-(2-hydroxy-5-(1H-tetrazol-5-yl)phenyl)prop-2-en-1-one
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| Structure |
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| Formula |
C24H18N6O3
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| Molecular Weight |
438.447
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| Canonical SMILES |
O=C(/C=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1cc(-c2nnn[nH]2)ccc1O
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| InChI |
InChI=1S/C24H18N6O3/c31-21(18-13-16(8-12-22(18)32)24-27-29-30-28-24)11-7-15-5-9-17(10-6-15)33-14-23-25-19-3-1-2-4-20(19)26-23/h1-13,32H,14H2,(H,25,26)(H,27,28,29,30)/b11-7+
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| InChIKey |
DCODKKUTGXHLGW-YRNVUSSQSA-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