General Information of the Compound
| Compound ID |
CP0444212
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| Compound Name |
2-[2-(4-phenylphenyl)ethyl]-1,2,4-triazinane-3,5,6-trione
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| Structure |
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| Formula |
C17H15N3O3
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| Molecular Weight |
309.325
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| Canonical SMILES |
Oc1nn(CCc2ccc(cc2)-c2ccccc2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C17H15N3O3/c21-15-16(22)19-20(17(23)18-15)11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,22)(H,18,21,23)
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| InChIKey |
DJMUHYRXTADHBS-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