General Information of the Compound
| Compound ID |
CP0847432
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| Compound Name |
4-cyano-N-(2-{7-[(5-fluoro-1H-indol-3-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 |
C24H26FN5O3S
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| Molecular Weight |
483.569
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(Cc4c[nH]c5ccc(F)cc45)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H26FN5O3S/c25-19-3-6-24-23(9-19)18(11-27-24)12-30-15-20-13-29(14-21(16-30)33-20)8-7-28-34(31,32)22-4-1-17(10-26)2-5-22/h1-6,9,11,20-21,27-28H,7-8,12-16H2
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| InChIKey |
BZLVWGJGWNHXRQ-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