General Information of the Compound
| Compound ID |
CP0363328
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| Compound Name |
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-chlorophenyl)ethyl]-N-(2-methoxy-2-methylpropyl)piperidin-4-amine
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| Structure |
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| Formula |
C20H31ClN6O
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| Molecular Weight |
406.962
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| Canonical SMILES |
COC(C)(C)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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| InChI |
InChI=1S/C20H31ClN6O/c1-20(2,28-3)14-27(11-8-15-4-6-16(21)7-5-15)17-9-12-26(13-10-17)19-23-18(22)24-25-19/h4-7,17H,8-14H2,1-3H3,(H3,22,23,24,25)
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| InChIKey |
AKELOESQUAWOOK-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