General Information of the Compound
| Compound ID |
CP0499581
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| Compound Name |
3-tert-butyl-7-(4-phenylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carbonitrile
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| Structure |
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| Formula |
C22H25N5
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| Molecular Weight |
359.477
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| Canonical SMILES |
CC(C)(C)c1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H25N5/c1-22(2,3)21-25-24-20-18(15-23)19(11-14-27(20)21)26-12-9-17(10-13-26)16-7-5-4-6-8-16/h4-8,11,14,17H,9-10,12-13H2,1-3H3
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| InChIKey |
BTWWYEWFVRYVGD-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