General Information of the Compound
| Compound ID |
CP0522040
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| Compound Name |
N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C19H22N8O3S
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| Molecular Weight |
442.505
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1cccc(c1)-n1cnnn1)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C19H22N8O3S/c28-19(26-12-10-25(11-13-26)16-4-7-20-8-5-16)6-9-22-31(29,30)18-3-1-2-17(14-18)27-15-21-23-24-27/h1-5,7-8,14-15,22H,6,9-13H2
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| InChIKey |
MJUPJUYIAIYYCY-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