General Information of the Compound
| Compound ID |
CP0405501
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| Compound Name |
(5-(2-(1-(2-chlorobenzyl)-1H- imidazol-4-yl)pyridin-4-yl)-2H- tetrazol-2-yl)methyl pivalate
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| Structure |
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| Formula |
C22H22ClN7O2
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| Molecular Weight |
451.918
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| Canonical SMILES |
CC(C)(C)C(=O)OCn1nnc(n1)-c1ccnc(c1)-c1cn(Cc2ccccc2Cl)cn1
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| InChI |
InChI=1S/C22H22ClN7O2/c1-22(2,3)21(31)32-14-30-27-20(26-28-30)15-8-9-24-18(10-15)19-12-29(13-25-19)11-16-6-4-5-7-17(16)23/h4-10,12-13H,11,14H2,1-3H3
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| InChIKey |
XEETXODNUHEINK-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