General Information of the Compound
| Compound ID |
CP0954598
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| Compound Name |
4-cyano-N-(3-{7-[3-(4-fluorophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}propyl)benzenesulfonamide
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| Structure |
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| Formula |
C25H31FN4O4S
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| Molecular Weight |
502.612
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCCN2CC3CN(CCCOc4ccc(F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C25H31FN4O4S/c26-21-5-7-22(8-6-21)33-14-2-13-30-18-23-16-29(17-24(19-30)34-23)12-1-11-28-35(31,32)25-9-3-20(15-27)4-10-25/h3-10,23-24,28H,1-2,11-14,16-19H2
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| InChIKey |
WPILBNGQSWGLNW-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