General Information of the Compound
| Compound ID |
CP0953552
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| Compound Name |
3-cyano-N-(2-{7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)benzenesulfonamide
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| Structure |
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| Formula |
C24H26FN5O4S
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| Molecular Weight |
499.568
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| Canonical SMILES |
N#Cc1cccc(S(=O)(=O)NCCN2CC3CN(CCOc4ccc(C#N)cc4F)CC(C2)O3)c1
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| InChI |
InChI=1S/C24H26FN5O4S/c25-23-11-19(13-27)4-5-24(23)33-9-8-30-16-20-14-29(15-21(17-30)34-20)7-6-28-35(31,32)22-3-1-2-18(10-22)12-26/h1-5,10-11,20-21,28H,6-9,14-17H2
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| InChIKey |
UBHAKYHYEIJSOR-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