General Information of the Compound
| Compound ID |
CP0220472
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| Compound Name |
2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]acetic acid
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| Structure |
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| Formula |
C17H23ClN6O2
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| Molecular Weight |
378.864
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| Canonical SMILES |
Nc1n[nH]c(n1)N1CCC(CC1)N(CCc1ccc(Cl)cc1)CC(O)=O
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| InChI |
InChI=1S/C17H23ClN6O2/c18-13-3-1-12(2-4-13)5-8-24(11-15(25)26)14-6-9-23(10-7-14)17-20-16(19)21-22-17/h1-4,14H,5-11H2,(H,25,26)(H3,19,20,21,22)
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| InChIKey |
WNAJLDWZFORROB-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