General Information of the Compound
| Compound ID |
CP0508190
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| Compound Name |
1-(4-(4-(5-(benzylsulfonyl)-2-morpholinobenzoyl)piperazin-1-yl)-3-fluorophenyl)ethanone
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| Structure |
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| Formula |
C30H32FN3O5S
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| Molecular Weight |
565.667
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| Canonical SMILES |
CC(=O)c1ccc(N2CCN(CC2)C(=O)c2cc(ccc2N2CCOCC2)S(=O)(=O)Cc2ccccc2)c(F)c1
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| InChI |
InChI=1S/C30H32FN3O5S/c1-22(35)24-7-9-29(27(31)19-24)32-11-13-34(14-12-32)30(36)26-20-25(8-10-28(26)33-15-17-39-18-16-33)40(37,38)21-23-5-3-2-4-6-23/h2-10,19-20H,11-18,21H2,1H3
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| InChIKey |
CQCSPVQUZPPAMK-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