General Information of the Compound
| Compound ID |
CP0500604
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| Compound Name |
2-(3-(6-chloroimidazo[2,1-b]thiazol-5-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-1-yl)ethanamine
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| Structure |
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| Formula |
C14H12ClN5O2S2
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| Molecular Weight |
381.87
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| Canonical SMILES |
NCCn1cc(c2ncccc12)S(=O)(=O)c1c(Cl)nc2sccn12
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| InChI |
InChI=1S/C14H12ClN5O2S2/c15-12-13(20-6-7-23-14(20)18-12)24(21,22)10-8-19(5-3-16)9-2-1-4-17-11(9)10/h1-2,4,6-8H,3,5,16H2
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| InChIKey |
KBAUSYLLJIMALV-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