General Information of the Compound
Compound ID |
CP0430729
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Compound Name |
3-(4-((1H-pyrazol-1-yl)methyl)-2-(3-morpholinophenethoxy)phenyl)-N-(3,4-difluorophenylsulfonyl)propanamide
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Structure |
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Formula |
C31H32F2N4O5S
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Molecular Weight |
610.683
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Canonical SMILES |
Fc1ccc(cc1F)S(=O)(=O)NC(=O)CCc1ccc(Cn2cccn2)cc1OCCc1cccc(c1)N1CCOCC1
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InChI |
InChI=1S/C31H32F2N4O5S/c32-28-9-8-27(21-29(28)33)43(39,40)35-31(38)10-7-25-6-5-24(22-37-13-2-12-34-37)20-30(25)42-16-11-23-3-1-4-26(19-23)36-14-17-41-18-15-36/h1-6,8-9,12-13,19-21H,7,10-11,14-18,22H2,(H,35,38)
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InChIKey |
VVWKJHLPHXOIBG-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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