General Information of the Compound
| Compound ID |
CP0390892
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| Compound Name |
3-(2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxybenzonitrile
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| Structure |
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| Formula |
C21H21F3N4O2
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| Molecular Weight |
418.419
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)C1CCCC1)C#N)C(F)(F)F
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| InChI |
InChI=1S/C21H21F3N4O2/c1-13(21(22,23)24)30-19-7-6-14(9-25)8-17(19)20(29)27-10-15-11-28(26-18(15)12-27)16-4-2-3-5-16/h6-8,11,13,16H,2-5,10,12H2,1H3/t13-/m0/s1
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| InChIKey |
DSCZITNNZITYPG-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