General Information of the Compound
| Compound ID |
CP0478729
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| Compound Name |
(S)-2-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)benzoyl)isoindoline-4-carbonitrile
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| Structure |
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| Formula |
C20H17F3N2O4S
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| Molecular Weight |
438.427
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2cccc(C#N)c2C1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C20H17F3N2O4S/c1-12(20(21,22)23)29-18-7-6-15(30(2,27)28)8-16(18)19(26)25-10-14-5-3-4-13(9-24)17(14)11-25/h3-8,12H,10-11H2,1-2H3/t12-/m0/s1
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| InChIKey |
KZTUEUOKPCKYBS-LBPRGKRZSA-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2