General Information of the Compound
| Compound ID |
CP0049186
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| Compound Name |
4-(6-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridin-1-ylsulfonyl)benzo[c][1,2,5]oxadiazole
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| Structure |
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| Formula |
C21H19N7O3S
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| Molecular Weight |
449.496
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| Canonical SMILES |
O=S(=O)(c1cccc2nonc12)n1ccc2ncc(cc12)-c1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C21H19N7O3S/c29-32(30,20-3-1-2-18-21(20)26-31-25-18)28-9-6-17-19(28)10-14(11-23-17)15-12-24-27(13-15)16-4-7-22-8-5-16/h1-3,6,9-13,16,22H,4-5,7-8H2
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| InChIKey |
JEGPFJOMJNNNAL-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