General Information of the Compound
| Compound ID |
CP0417517
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| Compound Name |
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C17H26N6
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| Molecular Weight |
314.437
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| Canonical SMILES |
CN(CCc1ccc(C)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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| InChI |
InChI=1S/C17H26N6/c1-13-3-5-14(6-4-13)7-10-22(2)15-8-11-23(12-9-15)17-19-16(18)20-21-17/h3-6,15H,7-12H2,1-2H3,(H3,18,19,20,21)
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| InChIKey |
GIITUUKTGPPHJY-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