General Information of the Compound
| Compound ID |
CP0507002
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| Compound Name |
3-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-6-(3,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
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| Structure |
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| Formula |
C19H11Cl3N6S
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| Molecular Weight |
461.765
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| Canonical SMILES |
Clc1ccc(cc1)-c1cc([nH]n1)-c1nnc2SCC(=Nn12)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C19H11Cl3N6S/c20-12-4-1-10(2-5-12)15-8-16(24-23-15)18-25-26-19-28(18)27-17(9-29-19)11-3-6-13(21)14(22)7-11/h1-8H,9H2,(H,23,24)
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| InChIKey |
NYUVMLNSRYQMSO-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