General Information of the Compound
| Compound ID |
CP0441170
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| Compound Name |
CHEMBL3943791
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| Formula |
C23H24ClF2NO5
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| Molecular Weight |
467.896
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| Canonical SMILES |
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1
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| InChI |
InChI=1S/C23H24ClF2NO5/c24-20-9-8-19(11-21(20)26)27(18-3-1-2-17(25)10-18)23(30)32-13-16-6-4-15(5-7-16)12-31-14-22(28)29/h1-3,8-11,15-16H,4-7,12-14H2,(H,28,29)/t15-,16-
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| InChIKey |
IONAKCRDZACAPF-WKILWMFISA-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: PT02279, Prostacyclin receptor
Protein ID: PT05707, Prostacyclin receptor
Protein ID: PT01054, Prostaglandin D2 receptor