General Information of the Compound
| Compound ID |
CP0431373
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| Compound Name |
1-(3-fluoro-4-(4-(2-morpholino-5-(propylsulfonyl)benzoyl)piperazin-1-yl)phenyl)ethanone
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| Structure |
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| Formula |
C26H32FN3O5S
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| Molecular Weight |
517.623
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| Canonical SMILES |
CCCS(=O)(=O)c1ccc(N2CCOCC2)c(c1)C(=O)N1CCN(CC1)c1ccc(cc1F)C(C)=O
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| InChI |
InChI=1S/C26H32FN3O5S/c1-3-16-36(33,34)21-5-7-24(29-12-14-35-15-13-29)22(18-21)26(32)30-10-8-28(9-11-30)25-6-4-20(19(2)31)17-23(25)27/h4-7,17-18H,3,8-16H2,1-2H3
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| InChIKey |
YWUITLRVOVKLQQ-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