General Information of the Compound
| Compound ID |
CP0261620
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| Compound Name |
2-(4-chloro-6-(3-phenylpropylamino)pyrimidin-2-ylthio)-2-(naphthalen-1-yl)acetic acid
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| Structure |
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| Formula |
C25H22ClN3O2S
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| Molecular Weight |
463.99
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| Canonical SMILES |
OC(=O)C(Sc1nc(Cl)cc(NCCCc2ccccc2)n1)c1cccc2ccccc12
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| InChI |
InChI=1S/C25H22ClN3O2S/c26-21-16-22(27-15-7-10-17-8-2-1-3-9-17)29-25(28-21)32-23(24(30)31)20-14-6-12-18-11-4-5-13-19(18)20/h1-6,8-9,11-14,16,23H,7,10,15H2,(H,30,31)(H,27,28,29)
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| InChIKey |
MTEBXMPXGZSGGW-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: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT02025, Prostaglandin E synthase