General Information of the Compound
| Compound ID |
CP0899628
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| Compound Name |
3-(6-chloro-imidazo[2,1-b]thiazole-5-sulfonyl)-1-pyrrolidin-3-yl-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C16H16ClN5O2S2
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| Molecular Weight |
409.924
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| Canonical SMILES |
O=S(=O)(C1=C(Cl)NC2SC=CN12)c1cn(C2CCNC2)c2ncccc12
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| InChI |
InChI=1S/C16H16ClN5O2S2/c17-13-15(21-6-7-25-16(21)20-13)26(23,24)12-9-22(10-3-5-18-8-10)14-11(12)2-1-4-19-14/h1-2,4,6-7,9-10,16,18,20H,3,5,8H2
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| InChIKey |
JLAWXYIPKGMPKY-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