General Information of the Compound
| Compound ID |
CP0559664
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| Compound Name |
(1S)-1-[2-morpholin-4-yl-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-2,3-dihydro-1H-indene-5-sulfonamide
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| Structure |
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| Formula |
C24H23F3N4O3S
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| Molecular Weight |
504.534
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| Canonical SMILES |
FC(F)(F)c1ccc([C@H]2CCc3cc(ccc23)S(=O)(=O)Nc2ncccn2)c(c1)N1CCOCC1
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| InChI |
InChI=1S/C24H23F3N4O3S/c25-24(26,27)17-3-6-21(22(15-17)31-10-12-34-13-11-31)20-5-2-16-14-18(4-7-19(16)20)35(32,33)30-23-28-8-1-9-29-23/h1,3-4,6-9,14-15,20H,2,5,10-13H2,(H,28,29,30)/t20-/m0/s1
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| InChIKey |
OSIXNPCBQPAWLY-FQEVSTJZSA-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
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha