General Information of the Compound
| Compound ID |
CP0921073
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| Compound Name |
N-(2-{7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo-[3.3.1]non-3-yl}ethyl)-2,4-difluorobenzenesulfonamide
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| Structure |
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| Formula |
C24H28F2N4O4S
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| Molecular Weight |
506.575
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| Canonical SMILES |
N#Cc1ccc(OCCCN2CC3CN(CCNS(=O)(=O)c4ccc(F)cc4F)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H28F2N4O4S/c25-19-4-7-24(23(26)12-19)35(31,32)28-8-10-30-16-21-14-29(15-22(17-30)34-21)9-1-11-33-20-5-2-18(13-27)3-6-20/h2-7,12,21-22,28H,1,8-11,14-17H2
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| InChIKey |
JCVFLWGCPSULRX-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