General Information of the Compound
| Compound ID |
CP0530551
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| Compound Name |
2-[1-[(2-chlorophenyl)methyl]-5- (4-fluorophenyl)imidazol-4-yl]-4- (2H-tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C22H15ClFN7
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| Molecular Weight |
431.862
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| Canonical SMILES |
Fc1ccc(cc1)-c1c(ncn1Cc1ccccc1Cl)-c1cc(ccn1)-c1nn[nH]n1
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| InChI |
InChI=1S/C22H15ClFN7/c23-18-4-2-1-3-16(18)12-31-13-26-20(21(31)14-5-7-17(24)8-6-14)19-11-15(9-10-25-19)22-27-29-30-28-22/h1-11,13H,12H2,(H,27,28,29,30)
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| InChIKey |
BRSDWTFJHHGKFU-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