General Information of the Compound
| Compound ID |
CP0302556
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| Compound Name |
1-(4-(1-(benzo[c][1,2,5]oxadiazol-4-ylsulfonyl)-1H-pyrrolo[3,2-b]pyridin-6-yl)piperazin-1-yl)-2-(methylamino)ethanone
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| Structure |
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| Formula |
C20H21N7O4S
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| Molecular Weight |
455.5
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| Canonical SMILES |
CNCC(=O)N1CCN(CC1)c1cnc2ccn(c2c1)S(=O)(=O)c1cccc2nonc12
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| InChI |
InChI=1S/C20H21N7O4S/c1-21-13-19(28)26-9-7-25(8-10-26)14-11-17-15(22-12-14)5-6-27(17)32(29,30)18-4-2-3-16-20(18)24-31-23-16/h2-6,11-12,21H,7-10,13H2,1H3
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| InChIKey |
HTBMQONCNMWJNN-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