General Information of the Compound
| Compound ID |
CP0320291
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| Compound Name |
3-(benzotriazol-1-ylmethyl)-6-(3-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C16H10FN7S
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| Molecular Weight |
351.37
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| Canonical SMILES |
Fc1cccc(c1)-c1nn2c(Cn3nnc4ccccc34)nnc2s1
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| InChI |
InChI=1S/C16H10FN7S/c17-11-5-3-4-10(8-11)15-21-24-14(19-20-16(24)25-15)9-23-13-7-2-1-6-12(13)18-22-23/h1-8H,9H2
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| InChIKey |
HNYXILOYZDAKIG-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
Protein ID: PT02678, Histone-lysine N-methyltransferase, H3 lysine-79 specific
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 200000 nM
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TI
LI
LO
TS
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| CL000018 | HL-60 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 200000 nM
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TI
LI
LO
TS
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