General Information of the Compound
| Compound ID |
CP0365402
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| Compound Name |
3-[4-[(2S,3S)-2-[(4-chlorophenyl)methyl]-3-methoxyazetidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
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| Structure |
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| Formula |
C18H25ClN6O
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| Molecular Weight |
376.892
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| Canonical SMILES |
CO[C@H]1CN([C@H]1Cc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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| InChI |
InChI=1S/C18H25ClN6O/c1-26-16-11-25(15(16)10-12-2-4-13(19)5-3-12)14-6-8-24(9-7-14)18-21-17(20)22-23-18/h2-5,14-16H,6-11H2,1H3,(H3,20,21,22,23)/t15-,16-/m0/s1
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| InChIKey |
JTOFILOVFYOIGD-HOTGVXAUSA-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: PT01834, Acidic mammalian chitinase
Protein ID: PT04304, Acidic mammalian chitinase
Protein ID: PT04882, Chitotriosidase-1
Protein ID: PT04299, Chitotriosidase-1