General Information of the Compound
| Compound ID |
CP0176068
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| Compound Name |
N-(3-chlorophenyl)-3-(pyrrolo[3,2-b]pyridin-1-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
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| Structure |
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| Formula |
C17H12ClN7S
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| Molecular Weight |
381.852
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| Canonical SMILES |
Clc1cccc(Nc2nn3c(Cn4ccc5ncccc45)nnc3s2)c1
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| InChI |
InChI=1S/C17H12ClN7S/c18-11-3-1-4-12(9-11)20-16-23-25-15(21-22-17(25)26-16)10-24-8-6-13-14(24)5-2-7-19-13/h1-9H,10H2,(H,20,23)
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| InChIKey |
YJMJECMHHOSQGD-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