General Information of the Compound
| Compound ID |
CP0421272
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| Compound Name |
(S)-(5-(methylsulfonyl)-2-(1,1,1-trifluoropropan-2-yloxy)phenyl)(5-phenylisoindolin-2-yl)methanone
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| Structure |
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| Formula |
C25H22F3NO4S
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| Molecular Weight |
489.515
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)-c1ccccc1)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C25H22F3NO4S/c1-16(25(26,27)28)33-23-11-10-21(34(2,31)32)13-22(23)24(30)29-14-19-9-8-18(12-20(19)15-29)17-6-4-3-5-7-17/h3-13,16H,14-15H2,1-2H3/t16-/m0/s1
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| InChIKey |
JOLOIRNKELNRQF-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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2