General Information of the Compound
| Compound ID |
CP0954610
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| Compound Name |
4-cyano-N-(2-{7-[3-(2,4-difluorophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)-N-methylbenzenesulfonamide
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| Structure |
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| Formula |
C25H30F2N4O4S
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| Molecular Weight |
520.602
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| Canonical SMILES |
CN(CCN1CC2CN(CCCOc3ccc(F)cc3F)CC(C1)O2)S(=O)(=O)c1ccc(C#N)cc1
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| InChI |
InChI=1S/C25H30F2N4O4S/c1-29(36(32,33)23-6-3-19(14-28)4-7-23)10-11-31-17-21-15-30(16-22(18-31)35-21)9-2-12-34-25-8-5-20(26)13-24(25)27/h3-8,13,21-22H,2,9-12,15-18H2,1H3
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| InChIKey |
XXUBZTCWKJTBSM-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