General Information of the Compound
| Compound ID |
CP0109502
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| Compound Name |
(2R)-1-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]propan-2-ol
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| Structure |
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| Formula |
C18H27ClN6O
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| Molecular Weight |
378.908
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| Canonical SMILES |
C[C@@H](O)CN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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| InChI |
InChI=1S/C18H27ClN6O/c1-13(26)12-25(9-6-14-2-4-15(19)5-3-14)16-7-10-24(11-8-16)18-21-17(20)22-23-18/h2-5,13,16,26H,6-12H2,1H3,(H3,20,21,22,23)/t13-/m1/s1
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| InChIKey |
SJEUBPPXBQTDKG-CYBMUJFWSA-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