General Information of the Compound
| Compound ID |
CP0864374
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| Compound Name |
4-cyano-N-[2-(7-{2-[4-(trifluoromethyl)phenyl]ethyl}-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C24H27F3N4O3S
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| Molecular Weight |
508.566
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)NCCN2CC3CN(CCc4ccc(C(F)(F)F)cc4)CC(C2)O3)cc1
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| InChI |
InChI=1S/C24H27F3N4O3S/c25-24(26,27)20-5-1-18(2-6-20)9-11-30-14-21-16-31(17-22(15-30)34-21)12-10-29-35(32,33)23-7-3-19(13-28)4-8-23/h1-8,21-22,29H,9-12,14-17H2
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| InChIKey |
AWGCFZPFPAXALM-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