General Information of the Compound
| Compound ID |
CP0390113
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| Compound Name |
N-(3,4-difluorophenyl)sulfonyl-3-[4-(morpholin-4-ylmethyl)-2-(2-naphthalen-2-ylethoxy)phenyl]propanamide
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| Structure |
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| Formula |
C32H32F2N2O5S
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| Molecular Weight |
594.68
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| Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(CN2CCOCC2)cc1OCCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H32F2N2O5S/c33-29-11-10-28(21-30(29)34)42(38,39)35-32(37)12-9-26-8-6-24(22-36-14-17-40-18-15-36)20-31(26)41-16-13-23-5-7-25-3-1-2-4-27(25)19-23/h1-8,10-11,19-21H,9,12-18,22H2,(H,35,37)
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| InChIKey |
KQZKVHKRCBRXPF-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: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype