General Information of the Compound
| Compound ID |
CP0411996
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| Compound Name |
2-[5-[2-(cyclopropylmethoxy)-4- fluorophenyl]-1-methylimidazol- 4-yl]-4-(2H-tetrazol-5-yl)pyridine
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| Structure |
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| Formula |
C20H18FN7O
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| Molecular Weight |
391.41
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]n1
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| InChI |
InChI=1S/C20H18FN7O/c1-28-11-23-18(16-8-13(6-7-22-16)20-24-26-27-25-20)19(28)15-5-4-14(21)9-17(15)29-10-12-2-3-12/h4-9,11-12H,2-3,10H2,1H3,(H,24,25,26,27)
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| InChIKey |
UNPSHKPWHBDUJV-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
Protein ID: PT02613, Lysine-specific demethylase 5A
Protein ID: PT03382, Lysine-specific demethylase 5B