General Information of the Compound
| Compound ID |
CP0509160
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| Compound Name |
6-Chloro-N-[2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-inden-5-yl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
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| Structure |
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| Formula |
C21H23ClN4O2S2
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| Molecular Weight |
463.028
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| Canonical SMILES |
CC1=C(CCN2CCCC2)c2cc(NS(=O)(=O)c3c(Cl)nc4sccn34)ccc2C1
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| InChI |
InChI=1S/C21H23ClN4O2S2/c1-14-12-15-4-5-16(13-18(15)17(14)6-9-25-7-2-3-8-25)24-30(27,28)20-19(22)23-21-26(20)10-11-29-21/h4-5,10-11,13,24H,2-3,6-9,12H2,1H3
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| InChIKey |
GNXOBMAGBOWJSB-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