General Information of the Compound
| Compound ID |
CP0357138
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| Compound Name |
4-((6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-1-yl)methyl)benzo[c][1,2,5]oxadiazole
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| Structure |
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| Formula |
C22H21N7O
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| Molecular Weight |
399.458
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| Canonical SMILES |
C(c1cccc2nonc12)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C22H21N7O/c1-2-15(22-20(3-1)26-30-27-22)13-28-9-6-19-21(28)10-16(11-24-19)17-12-25-29(14-17)18-4-7-23-8-5-18/h1-3,6,9-12,14,18,23H,4-5,7-8,13H2
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| InChIKey |
HCAPOHVIWWCHEQ-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