General Information of the Compound
Compound ID |
CP0419281
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Compound Name |
1-(6-Thiophen-2-yl-pyridin-2-yl)-[1,2,4]triazinan-3-one
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Structure |
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Formula |
C12H12N4OS
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Molecular Weight |
260.322
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Canonical SMILES |
O=C1NCCN(N1)c1cccc(n1)-c1cccs1
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InChI |
InChI=1S/C12H12N4OS/c17-12-13-6-7-16(15-12)11-5-1-3-9(14-11)10-4-2-8-18-10/h1-5,8H,6-7H2,(H2,13,15,17)
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InChIKey |
UNVYWNDGHFZNSG-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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