General Information of the Compound
| Compound ID |
CP0569735
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| Compound Name |
N-(3-chlorophenyl)-3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
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| Formula |
C19H13ClN6S
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| Molecular Weight |
392.875
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| Canonical SMILES |
Clc1cccc(Nc2nn3c(Cc4ccc5ncccc5c4)nnc3s2)c1
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| InChI |
InChI=1S/C19H13ClN6S/c20-14-4-1-5-15(11-14)22-18-25-26-17(23-24-19(26)27-18)10-12-6-7-16-13(9-12)3-2-8-21-16/h1-9,11H,10H2,(H,22,25)
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| InChIKey |
PPPVNFOSFGTCRJ-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