General Information of the Compound
| Compound ID |
CP0963508
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| Compound Name |
N-(2-{7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)-3,5-dimethylisoxazole-4-sulfonamiide
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| Structure |
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| Formula |
C22H28FN5O5S
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| Molecular Weight |
493.561
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)NCCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2
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| InChI |
InChI=1S/C22H28FN5O5S/c1-15-22(16(2)33-26-15)34(29,30)25-5-6-27-11-18-13-28(14-19(12-27)32-18)7-8-31-21-4-3-17(10-24)9-20(21)23/h3-4,9,18-19,25H,5-8,11-14H2,1-2H3
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| InChIKey |
VLXAEAXVQDCEEW-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