General Information of the Compound
| Compound ID |
CP0075337
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| Compound Name |
(2-phenyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-[5-propan-2-ylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
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| Structure |
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| Formula |
C24H24F3N3O4S
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| Molecular Weight |
507.534
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| Canonical SMILES |
CC(C)S(=O)(=O)c1ccc(O[C@@H](C)C(F)(F)F)c(c1)C(=O)N1Cc2cn(nc2C1)-c1ccccc1
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| InChI |
InChI=1S/C24H24F3N3O4S/c1-15(2)35(32,33)19-9-10-22(34-16(3)24(25,26)27)20(11-19)23(31)29-12-17-13-30(28-21(17)14-29)18-7-5-4-6-8-18/h4-11,13,15-16H,12,14H2,1-3H3/t16-/m0/s1
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| InChIKey |
YDEWBMPAQSXMRD-INIZCTEOSA-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