General Information of the Compound
| Compound ID |
CP0577363
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| Compound Name |
1-(5-chloro-2-methylsulfanylpyrimidin-4-yl)pyrrolo[3,2-b]pyridine
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| Structure |
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| Formula |
C12H9ClN4S
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| Molecular Weight |
276.752
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| Canonical SMILES |
CSc1ncc(Cl)c(n1)-n1ccc2ncccc12
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| InChI |
InChI=1S/C12H9ClN4S/c1-18-12-15-7-8(13)11(16-12)17-6-4-9-10(17)3-2-5-14-9/h2-7H,1H3
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| InChIKey |
HSKGKWDTOGCJAL-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