General Information of the Compound
| Compound ID |
CP0847430
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| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-4-methoxybenzenesulfonamide
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| Structure |
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| Formula |
C25H32N4O5S
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| Molecular Weight |
500.621
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| Canonical SMILES |
COc1ccc(S(=O)(=O)NCCN2CC3CN(CCCOc4ccc(C#N)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H32N4O5S/c1-32-21-7-9-25(10-8-21)35(30,31)27-11-13-29-18-23-16-28(17-24(19-29)34-23)12-2-14-33-22-5-3-20(15-26)4-6-22/h3-10,23-24,27H,2,11-14,16-19H2,1H3
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| InChIKey |
GIRGRYFWBVUPSE-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