General Information of the Compound
| Compound ID |
CP0424098
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| Compound Name |
1-(3-Thiophen-2-yl-phenyl)-[1,2,4]triazinan-3-one
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| Structure |
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| Formula |
C13H13N3OS
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| Molecular Weight |
259.334
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| Canonical SMILES |
O=C1NCCN(N1)c1cccc(c1)-c1cccs1
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| InChI |
InChI=1S/C13H13N3OS/c17-13-14-6-7-16(15-13)11-4-1-3-10(9-11)12-5-2-8-18-12/h1-5,8-9H,6-7H2,(H2,14,15,17)
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| InChIKey |
RDXOTHJWWJGDMZ-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