General Information of the Compound
| Compound ID |
CP0447329
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| Compound Name |
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]piperidin-4-amine
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| Structure |
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| Formula |
C19H30N6
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| Molecular Weight |
342.491
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| Canonical SMILES |
CC(C)c1ccc(CCN(C)C2CCN(CC2)c2nc(N)n[nH]2)cc1
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| InChI |
InChI=1S/C19H30N6/c1-14(2)16-6-4-15(5-7-16)8-11-24(3)17-9-12-25(13-10-17)19-21-18(20)22-23-19/h4-7,14,17H,8-13H2,1-3H3,(H3,20,21,22,23)
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| InChIKey |
MPDJFIUXYFJBJJ-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