General Information of the Compound
| Compound ID |
CP0409468
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| Compound Name |
CHEMBL3952439
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| Formula |
C23H25F2NO5
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| Molecular Weight |
433.451
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| Canonical SMILES |
OC(=O)COC[C@H]1CC[C@H](COC(=O)N(c2ccc(F)cc2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C23H25F2NO5/c24-18-5-9-20(10-6-18)26(21-11-7-19(25)8-12-21)23(29)31-14-17-3-1-16(2-4-17)13-30-15-22(27)28/h5-12,16-17H,1-4,13-15H2,(H,27,28)/t16-,17-
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| InChIKey |
VEKAPTDXKNHWSS-QAQDUYKDSA-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