General Information of the Compound
| Compound ID |
CP0421271
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| Compound Name |
(2-isopropoxy-5-(methylsulfonyl)phenyl)(5-(tetrahydro-2H-pyran-4-yl)isoindolin-2-yl)methanone
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| Structure |
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| Formula |
C24H29NO5S
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| Molecular Weight |
443.565
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| Canonical SMILES |
CC(C)Oc1ccc(cc1C(=O)N1Cc2ccc(cc2C1)C1CCOCC1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H29NO5S/c1-16(2)30-23-7-6-21(31(3,27)28)13-22(23)24(26)25-14-19-5-4-18(12-20(19)15-25)17-8-10-29-11-9-17/h4-7,12-13,16-17H,8-11,14-15H2,1-3H3
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| InChIKey |
SPASPLFBANPFIF-UHFFFAOYSA-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