General Information of the Compound
| Compound ID |
CP0409932
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| Compound Name |
(1S)-1-[2-(2-methylpyrazol-3-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 |
C24H20F3N5O2S
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| Molecular Weight |
499.518
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| Canonical SMILES |
Cn1nccc1-c1cc(ccc1[C@H]1CCc2cc(ccc12)S(=O)(=O)Nc1ncccn1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F3N5O2S/c1-32-22(9-12-30-32)21-14-16(24(25,26)27)4-7-20(21)19-6-3-15-13-17(5-8-18(15)19)35(33,34)31-23-28-10-2-11-29-23/h2,4-5,7-14,19H,3,6H2,1H3,(H,28,29,31)/t19-/m0/s1
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| InChIKey |
YMIUSSGKICXXJY-IBGZPJMESA-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: PT03022, Sodium channel protein type 2 subunit alpha
Protein ID: PT01000, Sodium channel protein type 9 subunit alpha
Protein ID: PT02269, Sodium channel protein type 9 subunit alpha