General Information of the Compound
| Compound ID |
CP0087496
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| Compound Name |
N-[7-oxo-6-(piperidin-4-ylmethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridin-3-yl]naphthalene-1-sulfonamide
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| Structure |
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| Formula |
C22H25N5O3S
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| Molecular Weight |
439.541
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| Canonical SMILES |
O=C1N(CC2CCNCC2)CCc2c(NS(=O)(=O)c3cccc4ccccc34)n[nH]c12
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| InChI |
InChI=1S/C22H25N5O3S/c28-22-20-18(10-13-27(22)14-15-8-11-23-12-9-15)21(25-24-20)26-31(29,30)19-7-3-5-16-4-1-2-6-17(16)19/h1-7,15,23H,8-14H2,(H2,24,25,26)
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| InChIKey |
GBWJFJQNRDZCRT-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