General Information of the Compound
| Compound ID |
CP0451970
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| Compound Name |
2-[[4-benzyl-5-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-triazol-3-yl]methoxy]acetic acid
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| Structure |
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| Formula |
C22H25N5O3
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| Molecular Weight |
407.474
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| Canonical SMILES |
OC(=O)COCc1nnc(C2CCN(CC2)c2ccccn2)n1Cc1ccccc1
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| InChI |
InChI=1S/C22H25N5O3/c28-21(29)16-30-15-20-24-25-22(27(20)14-17-6-2-1-3-7-17)18-9-12-26(13-10-18)19-8-4-5-11-23-19/h1-8,11,18H,9-10,12-16H2,(H,28,29)
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| InChIKey |
BICJPTCSQHMIAZ-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