General Information of the Compound
| Compound ID |
CP0475784
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| Compound Name |
6-(3,4-dichlorophenyl)-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C19H11Cl2FN6S
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| Molecular Weight |
445.31
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| Canonical SMILES |
Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2SCC(=Nn12)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H11Cl2FN6S/c20-13-6-3-11(7-14(13)21)17-9-29-19-26-25-18(28(19)27-17)16-8-15(23-24-16)10-1-4-12(22)5-2-10/h1-8H,9H2,(H,23,24)
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| InChIKey |
WYUJRQWLCNKQOM-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