General Information of the Compound
| Compound ID |
CP0437220
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| Compound Name |
1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-3-(4-bromophenyl)urea
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| Structure |
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| Formula |
C14H18BrN7O
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| Molecular Weight |
380.25
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| Canonical SMILES |
Nc1n[nH]c(n1)N1CCC(CC1)NC(=O)Nc1ccc(Br)cc1
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| InChI |
InChI=1S/C14H18BrN7O/c15-9-1-3-10(4-2-9)17-14(23)18-11-5-7-22(8-6-11)13-19-12(16)20-21-13/h1-4,11H,5-8H2,(H2,17,18,23)(H3,16,19,20,21)
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| InChIKey |
KFPGZNNISIWCDH-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: PT01834, Acidic mammalian chitinase
Protein ID: PT04304, Acidic mammalian chitinase
Protein ID: PT04882, Chitotriosidase-1
Protein ID: PT04299, Chitotriosidase-1