General Information of the Compound
| Compound ID |
CP0464397
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| Compound Name |
[2-(3-methylphenyl)-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 |
C23H22F3N3O4S
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| Molecular Weight |
493.507
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cn(nc2C1)-c1cccc(C)c1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C23H22F3N3O4S/c1-14-5-4-6-17(9-14)29-12-16-11-28(13-20(16)27-29)22(30)19-10-18(34(3,31)32)7-8-21(19)33-15(2)23(24,25)26/h4-10,12,15H,11,13H2,1-3H3/t15-/m0/s1
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| InChIKey |
IAIFDVUVYFIYKI-HNNXBMFYSA-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