General Information of the Compound
| Compound ID |
CP0413720
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| Compound Name |
3-(methoxymethyl)-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 |
C20H21N5O
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| Molecular Weight |
347.422
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| Canonical SMILES |
COCc1nnc2c(C#N)c(ccn12)N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C20H21N5O/c1-26-14-19-22-23-20-17(13-21)18(9-12-25(19)20)24-10-7-16(8-11-24)15-5-3-2-4-6-15/h2-6,9,12,16H,7-8,10-11,14H2,1H3
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| InChIKey |
XDKQWNNOKZKCIU-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