General Information of the Compound
| Compound ID |
CP0525481
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| Compound Name |
1-(3-Pyridin-2-yl-phenyl)-[1,2,4]triazinan-3-one
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| Structure |
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| Formula |
C14H14N4O
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| Molecular Weight |
254.293
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| Canonical SMILES |
O=C1NCCN(N1)c1cccc(c1)-c1ccccn1
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| InChI |
InChI=1S/C14H14N4O/c19-14-16-8-9-18(17-14)12-5-3-4-11(10-12)13-6-1-2-7-15-13/h1-7,10H,8-9H2,(H2,16,17,19)
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| InChIKey |
VSNJUQNRHDOIOL-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