General Information of the Compound
| Compound ID |
CP0963510
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| Compound Name |
4-cyano-N-(3-{7-[2-(2-fluorophenyl)ethyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}propyl)benzenesulfonamide
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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 |
N#Cc1ccc(S(=O)(=O)NCCCN2CC3CN(CCc4ccccc4F)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H29FN4O3S/c25-24-5-2-1-4-20(24)10-13-29-17-21-15-28(16-22(18-29)32-21)12-3-11-27-33(30,31)23-8-6-19(14-26)7-9-23/h1-2,4-9,21-22,27H,3,10-13,15-18H2
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| InChIKey |
GBBCOPHPTFUJOH-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