General Information of the Compound
| Compound ID |
CP0568131
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| Compound Name |
5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
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| Structure |
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| Formula |
C24H22N4O2S
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| Molecular Weight |
430.533
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| Canonical SMILES |
CCN1C(=S)N(CC)C(=O)C(=Cc2cn(nc2-c2ccccc2)-c2ccccc2)C1=O
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| InChI |
InChI=1S/C24H22N4O2S/c1-3-26-22(29)20(23(30)27(4-2)24(26)31)15-18-16-28(19-13-9-6-10-14-19)25-21(18)17-11-7-5-8-12-17/h5-16H,3-4H2,1-2H3
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| InChIKey |
BRXABVXVKWHMFF-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