General Information of the Compound
| Compound ID |
CP0437222
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| Compound Name |
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
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| Structure |
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| Formula |
C18H28N6
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| Molecular Weight |
328.464
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| Canonical SMILES |
CCc1ccc(CCN(C)C2CCN(CC2)c2nc(N)n[nH]2)cc1
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| InChI |
InChI=1S/C18H28N6/c1-3-14-4-6-15(7-5-14)8-11-23(2)16-9-12-24(13-10-16)18-20-17(19)21-22-18/h4-7,16H,3,8-13H2,1-2H3,(H3,19,20,21,22)
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| InChIKey |
KCPPNISJBNUOCB-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: PT01834, Acidic mammalian chitinase
Protein ID: PT04304, Acidic mammalian chitinase
Protein ID: PT04882, Chitotriosidase-1
Protein ID: PT04299, Chitotriosidase-1