General Information of the Compound
| Compound ID |
CP0961118
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| Compound Name |
N-(3-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}propyl)-3,5-dimethylisoxazole-4-sulfonamide
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| Structure |
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| Formula |
C24H33N5O5S
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| Molecular Weight |
503.625
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)NCCCN1CC2CN(CCCOc3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C24H33N5O5S/c1-18-24(19(2)34-27-18)35(30,31)26-9-3-10-28-14-22-16-29(17-23(15-28)33-22)11-4-12-32-21-7-5-20(13-25)6-8-21/h5-8,22-23,26H,3-4,9-12,14-17H2,1-2H3
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| InChIKey |
CFTVZSZBSXXYLF-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