General Information of the Compound
| Compound ID |
CP0220469
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| Compound Name |
1-[2-[[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3-methylurea
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| Structure |
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| Formula |
C19H29ClN8O
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| Molecular Weight |
420.949
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| Canonical SMILES |
CNC(=O)NCCN(CCc1ccc(Cl)cc1)C1CCN(CC1)c1nc(N)n[nH]1
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| InChI |
InChI=1S/C19H29ClN8O/c1-22-19(29)23-9-13-27(10-6-14-2-4-15(20)5-3-14)16-7-11-28(12-8-16)18-24-17(21)25-26-18/h2-5,16H,6-13H2,1H3,(H2,22,23,29)(H3,21,24,25,26)
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| InChIKey |
ARWWVAZVGCKBKL-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