General Information of the Compound
| Compound ID |
CP0547357
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| Compound Name |
4-[2-[5-2-cyclopropylmethoxy)-4- fluorophenyl]-1-methylimidazol-4- yl]pyridin-4-yl]-1H-triazole-5-carbonitrile
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| Structure |
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| Formula |
C22H18FN7O
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| Molecular Weight |
415.432
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| Canonical SMILES |
Cn1cnc(c1-c1ccc(F)cc1OCC1CC1)-c1cc(ccn1)-c1nn[nH]c1C#N
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| InChI |
InChI=1S/C22H18FN7O/c1-30-12-26-21(17-8-14(6-7-25-17)20-18(10-24)27-29-28-20)22(30)16-5-4-15(23)9-19(16)31-11-13-2-3-13/h4-9,12-13H,2-3,11H2,1H3,(H,27,28,29)
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| InChIKey |
ITGGNHLGYPVAEF-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: PT02548, Histone lysine demethylase PHF8
Protein ID: PT03776, Lysine-specific demethylase 2B