General Information of the Compound
| Compound ID |
CP0352216
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| Compound Name |
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine
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| Structure |
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| Formula |
C18H27ClN6O
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| Molecular Weight |
378.908
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| Canonical SMILES |
COCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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| InChI |
InChI=1S/C18H27ClN6O/c1-26-13-12-24(9-6-14-2-4-15(19)5-3-14)16-7-10-25(11-8-16)18-21-17(20)22-23-18/h2-5,16H,6-13H2,1H3,(H3,20,21,22,23)
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| InChIKey |
VHCGNVXMBLVYOK-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: PT04304, Acidic mammalian chitinase
Protein ID: PT01834, Acidic mammalian chitinase
Protein ID: PT04882, Chitotriosidase-1
Protein ID: PT04299, Chitotriosidase-1