General Information of the Compound
| Compound ID |
CP0953302
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| Compound Name |
4-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]pyridin-4-yl]-1H-triazole-5-carbonitrile
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| Structure |
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| Formula |
C22H19N7
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| Molecular Weight |
381.443
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| Canonical SMILES |
N#Cc1[nH]nnc1-c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1
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| InChI |
InChI=1S/C22H19N7/c23-11-20-22(27-28-26-20)16-8-9-24-19(10-16)21-13-29(14-25-21)12-17-6-3-5-15-4-1-2-7-18(15)17/h1-2,4,7-10,13-14,17H,3,5-6,12H2,(H,26,27,28)
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| InChIKey |
MHLCUIFDJUSGHG-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