General Information of the Compound
| Compound ID |
CP0533868
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| Compound Name |
2-(1-(3-chlorobenzyl)-5-(2- (cyclopropylmethoxy)-4- fluorophenyl)-1H-imidazol-4-yl)- 4-(2H-tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C26H21ClFN7O
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| Molecular Weight |
501.953
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| Canonical SMILES |
Fc1ccc(-c2c(ncn2Cc2cccc(Cl)c2)-c2cc(ccn2)-c2nn[nH]n2)c(OCC2CC2)c1
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| InChI |
InChI=1S/C26H21ClFN7O/c27-19-3-1-2-17(10-19)13-35-15-30-24(22-11-18(8-9-29-22)26-31-33-34-32-26)25(35)21-7-6-20(28)12-23(21)36-14-16-4-5-16/h1-3,6-12,15-16H,4-5,13-14H2,(H,31,32,33,34)
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| InChIKey |
FRGDERRCLFFNOX-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: PT03776, Lysine-specific demethylase 2B
Protein ID: PT02979, Lysine-specific demethylase 4C