General Information of the Compound
| Compound ID |
CP0390890
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| Compound Name |
(2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
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| Structure |
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| Formula |
C21H24F3N3O4S
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| Molecular Weight |
471.501
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C21H24F3N3O4S/c1-13(21(22,23)24)31-19-8-7-16(32(2,29)30)9-17(19)20(28)26-10-14-11-27(25-18(14)12-26)15-5-3-4-6-15/h7-9,11,13,15H,3-6,10,12H2,1-2H3/t13-/m0/s1
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| InChIKey |
GNQUTXLBMXEVLW-ZDUSSCGKSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2