General Information of the Compound
| Compound ID |
CP0967272
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| Compound Name |
4-cyano-N-(2-{7-[2-(3-fluorophenyl)ethyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C24H29FN4O3S
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| Molecular Weight |
472.586
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| Canonical SMILES |
CN(CCN1CC2CN(CCc3cccc(F)c3)CC(C1)O2)S(=O)(=O)c1ccc(C#N)cc1
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| InChI |
InChI=1S/C24H29FN4O3S/c1-27(33(30,31)24-7-5-20(14-26)6-8-24)11-12-29-17-22-15-28(16-23(18-29)32-22)10-9-19-3-2-4-21(25)13-19/h2-8,13,22-23H,9-12,15-18H2,1H3
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| InChIKey |
PJAWWAHOIPODIN-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