General Information of the Compound
| Compound ID |
CP0919418
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| Compound Name |
4-cyano-N-(2-{7-[(3,5-dimethylisoxazol-4-yl)methyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C21H27N5O4S
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| Molecular Weight |
445.545
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| Canonical SMILES |
Cc1noc(C)c1CN1CC2CN(CCNS(=O)(=O)c3ccc(C#N)cc3)CC(C1)O2
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| InChI |
InChI=1S/C21H27N5O4S/c1-15-21(16(2)30-24-15)14-26-12-18-10-25(11-19(13-26)29-18)8-7-23-31(27,28)20-5-3-17(9-22)4-6-20/h3-6,18-19,23H,7-8,10-14H2,1-2H3
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| InChIKey |
PCKDXYZUAWJFCD-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