General Information of the Compound
| Compound ID |
CP0420360
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| Compound Name |
2-chloro-3-[2-(5-fluoropyridin-2-yl)-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 |
C21H14ClF4N5O2
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| Molecular Weight |
479.821
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| Canonical SMILES |
C[C@H](Oc1ccc(C#N)c(Cl)c1C(=O)N1Cc2cn(nc2C1)-c1ccc(F)cn1)C(F)(F)F
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| InChI |
InChI=1S/C21H14ClF4N5O2/c1-11(21(24,25)26)33-16-4-2-12(6-27)19(22)18(16)20(32)30-8-13-9-31(29-15(13)10-30)17-5-3-14(23)7-28-17/h2-5,7,9,11H,8,10H2,1H3/t11-/m0/s1
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| InChIKey |
MKIWATPNTUGKEL-NSHDSACASA-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