General Information of the Compound
| Compound ID |
CP0499740
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| Compound Name |
(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-thiophen-2-ylphenyl)methanone
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| Structure |
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| Formula |
C21H17N5OS
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| Molecular Weight |
387.468
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| Canonical SMILES |
O=C(N1CCn2c(C1)nnc2-c1ccccn1)c1ccc(cc1)-c1cccs1
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| InChI |
InChI=1S/C21H17N5OS/c27-21(16-8-6-15(7-9-16)18-5-3-13-28-18)25-11-12-26-19(14-25)23-24-20(26)17-4-1-2-10-22-17/h1-10,13H,11-12,14H2
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| InChIKey |
ZQPUWOPXXQYLPZ-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