General Information of the Compound
| Compound ID |
CP0123042
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| Compound Name |
2-[4-[4-(4-iodophenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
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| Structure |
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| Formula |
C18H24IN5O2
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| Molecular Weight |
469.327
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| Canonical SMILES |
Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccc(I)cc2)c1=O
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| InChI |
InChI=1S/C18H24IN5O2/c1-21-17(25)14-20-24(18(21)26)9-3-2-8-22-10-12-23(13-11-22)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3
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| InChIKey |
LQNJXFPHBLYRNQ-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