General Information of the Compound
| Compound ID |
CP0220468
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| Compound Name |
3-[4-[3-(4-chlorophenyl)piperidin-1-yl]piperidin-1-yl]-1H-1,2,4-triazol-5-amine
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| Structure |
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| Formula |
C18H25ClN6
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| Molecular Weight |
360.893
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| Canonical SMILES |
Nc1n[nH]c(n1)N1CCC(CC1)N1CCCC(C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C18H25ClN6/c19-15-5-3-13(4-6-15)14-2-1-9-25(12-14)16-7-10-24(11-8-16)18-21-17(20)22-23-18/h3-6,14,16H,1-2,7-12H2,(H3,20,21,22,23)
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| InChIKey |
GGDCCIUNJVQZKW-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